CAS RN: 24554-22-1
CAS Name: 1-(benzenesulfonyl)ethylbenzene
OPENEYE Name: 1-(benzenesulfonyl)ethylbenzene
IUPAC Name: 1-(benzenesulfonyl)ethylbenzene
SYSTEMATIC NAME: 1-(phenylsulfonyl)ethylbenzene
MOLECULAR FORMULA: C14H14O2S
MOLECULAR WEIGHT: 246.32476
SMILES: CC(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2
Structure:
CAS RN: 14315-13-0
CAS Name: 2,3-dihydro-1-benzothiophene 1,1-dioxide
OPENEYE Name: 2,3-dihydrobenzothiophene 1,1-dioxide
IUPAC Name: 2,3-dihydro-1-benzothiophene 1,1-dioxide
SYSTEMATIC NAME: 2,3-dihydro-1-benzothiophene 1,1-dioxide
MOLECULAR FORMULA: C8H8O2S
MOLECULAR WEIGHT: 168.21292
SMILES: C1CS(=O)(=O)C2=CC=CC=C21
Structure:
CAS RN: 21394-48-9
CAS Name: 2-[2-(benzenesulfonyl)cyclopropyl]-1,3-dimethylbenzene
OPENEYE Name: 2-[2-(benzenesulfonyl)cyclopropyl]-1,3-dimethyl-benzene
IUPAC Name: 2-[2-(benzenesulfonyl)cyclopropyl]-1,3-dimethylbenzene
SYSTEMATIC NAME: 1,3-dimethyl-2-[2-(phenylsulfonyl)cyclopropyl]benzene
MOLECULAR FORMULA: C17H18O2S
MOLECULAR WEIGHT: 286.38862
SMILES: CC1=C(C(=CC=C1)C)C2CC2S(=O)(=O)C3=CC=CC=C3
Structure:
CAS RN: 30406-61-2
CAS Name: 1-[2-(benzenesulfonyl)-1-chloroethyl]-4-chlorobenzene
OPENEYE Name: 1-[2-(benzenesulfonyl)-1-chloro-ethyl]-4-chloro-benzene
IUPAC Name: 1-[2-(benzenesulfonyl)-1-chloroethyl]-4-chlorobenzene
SYSTEMATIC NAME: 1-chloranyl-4-[1-chloranyl-2-(phenylsulfonyl)ethyl]benzene
MOLECULAR FORMULA: C14H12Cl2O2S
MOLECULAR WEIGHT: 315.21488
SMILES: C1=CC=C(C=C1)S(=O)(=O)CC(C2=CC=C(C=C2)Cl)Cl
Structure:
CAS RN: 304-03-0
CAS Name: 1-(2-chloro-2-phenylethyl)sulfonyl-4-fluorobenzene
OPENEYE Name: 1-(2-chloro-2-phenyl-ethyl)sulfonyl-4-fluoro-benzene
IUPAC Name: 1-(2-chloro-2-phenylethyl)sulfonyl-4-fluorobenzene
SYSTEMATIC NAME: 1-(2-chloranyl-2-phenyl-ethyl)sulfonyl-4-fluoranyl-benzene
MOLECULAR FORMULA: C14H12ClFO2S
MOLECULAR WEIGHT: 298.760283
SMILES: C1=CC=C(C=C1)C(CS(=O)(=O)C2=CC=C(C=C2)F)Cl
Structure:
CAS RN: 90656-45-4
CAS Name: [2-(benzenesulfonyl)cyclopropyl]benzene
OPENEYE Name: [2-(benzenesulfonyl)cyclopropyl]benzene
IUPAC Name: [2-(benzenesulfonyl)cyclopropyl]benzene
SYSTEMATIC NAME: [2-(phenylsulfonyl)cyclopropyl]benzene
MOLECULAR FORMULA: C15H14O2S
MOLECULAR WEIGHT: 258.33546
SMILES: C1C(C1S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 66826-89-9
CAS Name: [2-(benzenesulfonyl)cyclopropyl]benzene
OPENEYE Name: [2-(benzenesulfonyl)cyclopropyl]benzene
IUPAC Name: [2-(benzenesulfonyl)cyclopropyl]benzene
SYSTEMATIC NAME: [2-(phenylsulfonyl)cyclopropyl]benzene
MOLECULAR FORMULA: C15H14O2S
MOLECULAR WEIGHT: 258.33546
SMILES: C1C(C1S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 33963-55-2
CAS Name: 2-methylsulfonylbenzoic acid
OPENEYE Name: 2-methylsulfonylbenzoic acid
IUPAC Name: 2-methylsulfonylbenzoic acid
SYSTEMATIC NAME: 2-methylsulfonylbenzoic acid
MOLECULAR FORMULA: C8H8O4S
MOLECULAR WEIGHT: 200.21172
SMILES: CS(=O)(=O)C1=CC=CC=C1C(=O)O
Structure:
CAS RN: 26321-22-2
CAS Name: 1-(benzenesulfonyl)acenaphthylene
OPENEYE Name: 1-(benzenesulfonyl)acenaphthylene
IUPAC Name: 1-(benzenesulfonyl)acenaphthylene
SYSTEMATIC NAME: 1-(phenylsulfonyl)acenaphthylene
MOLECULAR FORMULA: C18H12O2S
MOLECULAR WEIGHT: 292.35168
SMILES: C1=CC=C(C=C1)S(=O)(=O)C2=CC3=CC=CC4=C3C2=CC=C4
Structure:
CAS RN: 22407-40-5
CAS Name: 2-(benzenesulfonyl)thiophene
OPENEYE Name: 2-(benzenesulfonyl)thiophene
IUPAC Name: 2-(benzenesulfonyl)thiophene
SYSTEMATIC NAME: 2-(phenylsulfonyl)thiophene
MOLECULAR FORMULA: C10H8O2S2
MOLECULAR WEIGHT: 224.29932
SMILES: C1=CC=C(C=C1)S(=O)(=O)C2=CC=CS2
Structure:
CAS RN: 3322-62-1
CAS Name: methanesulfonic acid 3-[methyl(3-methylsulfonyloxypropyl)amino]propyl ester; 4-methylbenzenesulfonic acid
OPENEYE Name: 4-methylbenzenesulfonic acid; 3-[methyl(3-methylsulfonyloxypropyl)amino]propyl methanesulfonate
IUPAC Name: 4-methylbenzenesulfonic acid; 3-[methyl(3-methylsulfonyloxypropyl)amino]propyl methanesulfonate
SYSTEMATIC NAME: 4-methylbenzenesulfonic acid; 3-[methyl(3-methylsulfonyloxypropyl)amino]propyl methanesulfonate
MOLECULAR FORMULA: C16H29NO9S3
MOLECULAR WEIGHT: 475.59776
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CN(CCCOS(=O)(=O)C)CCCOS(=O)(=O)C
Structure:
CAS RN: 32784-82-0
CAS Name: methanesulfonic acid 3-(3-methylsulfonyloxypropylamino)propyl ester; 4-methylbenzenesulfonic acid
OPENEYE Name: 4-methylbenzenesulfonic acid; 3-(3-methylsulfonyloxypropylamino)propyl methanesulfonate
IUPAC Name: 4-methylbenzenesulfonic acid; 3-(3-methylsulfonyloxypropylamino)propyl methanesulfonate
SYSTEMATIC NAME: 4-methylbenzenesulfonic acid; 3-(3-methylsulfonyloxypropylamino)propyl methanesulfonate
MOLECULAR FORMULA: C15H27NO9S3
MOLECULAR WEIGHT: 461.57118
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CS(=O)(=O)OCCCNCCCOS(=O)(=O)C
Structure:
CAS RN: 104934-54-5
CAS Name: 2-(1-cyclohexenyl)-N,N-dimethylaniline
OPENEYE Name: 2-(cyclohexen-1-yl)-N,N-dimethyl-aniline
IUPAC Name: 2-(cyclohexen-1-yl)-N,N-dimethylaniline
SYSTEMATIC NAME: 2-(cyclohexen-1-yl)-N,N-dimethyl-aniline
MOLECULAR FORMULA: C14H19N
MOLECULAR WEIGHT: 201.30736
SMILES: CN(C)C1=CC=CC=C1C2=CCCCC2
Structure:
CAS RN: 31348-80-8
CAS Name: (4-nitrophenyl)methoxyurea
OPENEYE Name: (4-nitrophenyl)methoxyurea
IUPAC Name: (4-nitrophenyl)methoxyurea
SYSTEMATIC NAME: 1-[(4-nitrophenyl)methoxy]urea
MOLECULAR FORMULA: C8H9N3O4
MOLECULAR WEIGHT: 211.17476
SMILES: C1=CC(=CC=C1CONC(=O)N)[N+](=O)[O-]
Structure:
CAS RN: 316146-27-7
CAS Name: N-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2,2-trifluoroacetamide
OPENEYE Name: N-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2,2-trifluoro-acetamide
IUPAC Name: N-(2,4-dioxo-1H-pyrimidin-5-yl)-2,2,2-trifluoroacetamide
SYSTEMATIC NAME: N-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-2,2,2-tris(fluoranyl)ethanamide
MOLECULAR FORMULA: C6H4F3N3O3
MOLECULAR WEIGHT: 223.10947
SMILES: C1=C(C(=O)NC(=O)N1)NC(=O)C(F)(F)F
Structure:
CAS RN: 33208-11-6
CAS Name: 2-[2-amino-6-[(3-methyl-5-nitro-4-imidazolyl)seleno]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-[2-amino-6-(3-methyl-5-nitro-imidazol-4-yl)selanyl-purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-[2-amino-6-(3-methyl-5-nitroimidazol-4-yl)selanylpurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-[2-azanyl-6-(3-methyl-5-nitro-imidazol-4-yl)selanyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C14H16N8O6Se
MOLECULAR WEIGHT: 471.28684
SMILES: CN1C=NC(=C1[Se]C2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)N)[N+](=O)[O-]
Structure:
CAS RN: 25678-11-9
CAS Name: 1-[4-fluoro-5-(hydroxymethyl)-2-oxolanyl]-5-methylpyrimidine-2,4-dione
OPENEYE Name: 1-[4-fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
IUPAC Name: 1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[4-fluoranyl-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C10H13FN2O4
MOLECULAR WEIGHT: 244.219623
SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)F
Structure:
CAS RN: 1738-87-0
CAS Name: 4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid (4-nitrophenyl) ester
OPENEYE Name: (4-nitrophenyl) 2-(benzyloxycarbonylamino)-4-methyl-pentanoate
IUPAC Name: (4-nitrophenyl) 4-methyl-2-(phenylmethoxycarbonylamino)pentanoate
SYSTEMATIC NAME: (4-nitrophenyl) 4-methyl-2-(phenylmethoxycarbonylamino)pentanoate
MOLECULAR FORMULA: C20H22N2O6
MOLECULAR WEIGHT: 386.39848
SMILES: CC(C)CC(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 54647-77-7
CAS Name: N-cyclohexylcyclohexanamine; 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid
OPENEYE Name: 2-(benzyloxycarbonylamino)-3-methyl-butanoic acid; N-cyclohexylcyclohexanamine
IUPAC Name: N-cyclohexylcyclohexanamine; 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid
SYSTEMATIC NAME: N-cyclohexylcyclohexanamine; 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid
MOLECULAR FORMULA: C25H40N2O4
MOLECULAR WEIGHT: 432.5961
SMILES: CC(C)C(C(=O)O)NC(=O)OCC1=CC=CC=C1.C1CCC(CC1)NC2CCCCC2
Structure:
CAS RN: 40751-89-1
CAS Name: 2-methoxy-5-nitrobenzoic acid
OPENEYE Name: 2-methoxy-5-nitro-benzoic acid
IUPAC Name: 2-methoxy-5-nitrobenzoic acid
SYSTEMATIC NAME: 2-methoxy-5-nitro-benzoic acid
MOLECULAR FORMULA: C8H7NO5
MOLECULAR WEIGHT: 197.14488
SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O
Structure:
CAS RN: 13134-31-1
CAS Name: pyrazine-2,3-diamine
OPENEYE Name: pyrazine-2,3-diamine
IUPAC Name: pyrazine-2,3-diamine
SYSTEMATIC NAME: pyrazine-2,3-diamine
MOLECULAR FORMULA: C4H6N4
MOLECULAR WEIGHT: 110.11724
SMILES: C1=CN=C(C(=N1)N)N
Structure:
CAS RN: 7766-50-9
CAS Name: 11-bromo-1-undecene
OPENEYE Name: 11-bromoundec-1-ene
IUPAC Name: 11-bromoundec-1-ene
SYSTEMATIC NAME: 11-bromanylundec-1-ene
MOLECULAR FORMULA: C11H21Br
MOLECULAR WEIGHT: 233.18844
SMILES: C=CCCCCCCCCCBr
Structure:
CAS RN: 57310-39-1
CAS Name: 2-bromo-1-chloro-4-methylbenzene
OPENEYE Name: 2-bromo-1-chloro-4-methyl-benzene
IUPAC Name: 2-bromo-1-chloro-4-methylbenzene
SYSTEMATIC NAME: 2-bromanyl-1-chloranyl-4-methyl-benzene
MOLECULAR FORMULA: C7H6BrCl
MOLECULAR WEIGHT: 205.47954
SMILES: CC1=CC(=C(C=C1)Cl)Br
Structure:
CAS RN: 22619-37-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H12O
MOLECULAR WEIGHT: 136.19098
SMILES: CC(=O)C12CC3CC1C2C3
Structure:
CAS RN: 597-67-1
CAS Name: ethoxy(triethyl)silane
OPENEYE Name: ethoxy(triethyl)silane
IUPAC Name: ethoxy(triethyl)silane
SYSTEMATIC NAME: ethoxy(triethyl)silane
MOLECULAR FORMULA: C8H20OSi
MOLECULAR WEIGHT: 160.3293
SMILES: CCO[Si](CC)(CC)CC
Structure:
CAS RN: 18266-50-7
CAS Name: chloromethyl-hydroxy-dimethylsilane
OPENEYE Name: chloromethyl-hydroxy-dimethyl-silane
IUPAC Name: chloromethyl-hydroxy-dimethylsilane
SYSTEMATIC NAME: chloromethyl-dimethyl-oxidanyl-silane
MOLECULAR FORMULA: C3H9ClOSi
MOLECULAR WEIGHT: 124.64146
SMILES: C[Si](C)(CCl)O
Structure:
CAS RN: 2207-32-1
CAS Name: 5-chloro-2,1,3-benzothiadiazole
OPENEYE Name: 5-chloro-2,1,3-benzothiadiazole
IUPAC Name: 5-chloro-2,1,3-benzothiadiazole
SYSTEMATIC NAME: 5-chloranyl-2,1,3-benzothiadiazole
MOLECULAR FORMULA: C6H3ClN2S
MOLECULAR WEIGHT: 170.61942
SMILES: C1=CC2=NSN=C2C=C1Cl
Structure:
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