CAS RN: 27695-53-0
CAS Name: methanesulfonic acid [(2S,3R)-2,3-bis(methanesulfonamido)-4-methylsulfonyloxybutyl] ester
OPENEYE Name: [(2S,3R)-2,3-bis(methanesulfonamido)-4-methylsulfonyloxy-butyl] methanesulfonate
IUPAC Name: [(2S,3R)-2,3-bis(methanesulfonamido)-4-methylsulfonyloxybutyl] methanesulfonate
SYSTEMATIC NAME: [(2S,3R)-2,3-bis(methylsulfonylamino)-4-methylsulfonyloxy-butyl] methanesulfonate
MOLECULAR FORMULA: C8H20N2O10S4
MOLECULAR WEIGHT: 432.5118
SMILES: CS(=O)(=O)N[C@H](COS(=O)(=O)C)[C@H](COS(=O)(=O)C)NS(=O)(=O)C
Structure:
CAS RN: 17733-44-7
CAS Name: 4-methyl-2-[3-(methylthio)propyl]phenol
OPENEYE Name: 4-methyl-2-(3-methylsulfanylpropyl)phenol
IUPAC Name: 4-methyl-2-(3-methylsulfanylpropyl)phenol
SYSTEMATIC NAME: 4-methyl-2-(3-methylsulfanylpropyl)phenol
MOLECULAR FORMULA: C11H16OS
MOLECULAR WEIGHT: 196.30914
SMILES: CC1=CC(=C(C=C1)O)CCCSC
Structure:
CAS RN: 32794-45-9
CAS Name: 2-(didodecylamino)-N-[4-[4-[[2-(didodecylamino)-1-oxoethyl]amino]phenyl]sulfonylphenyl]acetamide
OPENEYE Name: 2-(didodecylamino)-N-[4-[4-[[2-(didodecylamino)acetyl]amino]phenyl]sulfonylphenyl]acetamide
IUPAC Name: 2-(didodecylamino)-N-[4-[4-[[2-(didodecylamino)acetyl]amino]phenyl]sulfonylphenyl]acetamide
SYSTEMATIC NAME: 2-(didodecylamino)-N-[4-[4-[2-(didodecylamino)ethanoylamino]phenyl]sulfonylphenyl]ethanamide
MOLECULAR FORMULA: C64H114N4O4S
MOLECULAR WEIGHT: 1035.67936
SMILES: CCCCCCCCCCCCN(CCCCCCCCCCCC)CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN(CCCCCCCCCCCC)CCCCCCCCCCCC
Structure:
CAS RN: 80544-83-8
CAS Name: 1-(2-methoxyphenyl)-1-cyclohexanol
OPENEYE Name: 1-(2-methoxyphenyl)cyclohexanol
IUPAC Name: 1-(2-methoxyphenyl)cyclohexan-1-ol
SYSTEMATIC NAME: 1-(2-methoxyphenyl)cyclohexan-1-ol
MOLECULAR FORMULA: C13H18O2
MOLECULAR WEIGHT: 206.28082
SMILES: COC1=CC=CC=C1C2(CCCCC2)O
Structure:
CAS RN: 31910-18-6
CAS Name: [1-bromo-2-(2-bromo-2-phenylethyl)sulfonylethyl]benzene
OPENEYE Name: [1-bromo-2-(2-bromo-2-phenyl-ethyl)sulfonyl-ethyl]benzene
IUPAC Name: [1-bromo-2-(2-bromo-2-phenylethyl)sulfonylethyl]benzene
SYSTEMATIC NAME: [1-bromanyl-2-(2-bromanyl-2-phenyl-ethyl)sulfonyl-ethyl]benzene
MOLECULAR FORMULA: C16H16Br2O2S
MOLECULAR WEIGHT: 432.17004
SMILES: C1=CC=C(C=C1)C(CS(=O)(=O)CC(C2=CC=CC=C2)Br)Br
Structure:
CAS RN: 2765-43-7
CAS Name: 1,2-dihydro-3$l^{6}-benzothiepin 3,3-dioxide
OPENEYE Name: 1,2-dihydro-3$l^{6}-benzothiepine 3,3-dioxide
IUPAC Name: 1,2-dihydro-3$l^{6}-benzothiepine 3,3-dioxide
SYSTEMATIC NAME: 1,2-dihydro-3$l^{6}-benzothiepine 3,3-dioxide
MOLECULAR FORMULA: C10H10O2S
MOLECULAR WEIGHT: 194.2502
SMILES: C1CS(=O)(=O)C=CC2=CC=CC=C21
Structure:
CAS RN: 27817-35-2
CAS Name: 1,2-dihydro-3$l^{6}-benzothiepin 3,3-dioxide
OPENEYE Name: 1,2-dihydro-3$l^{6}-benzothiepine 3,3-dioxide
IUPAC Name: 1,2-dihydro-3$l^{6}-benzothiepine 3,3-dioxide
SYSTEMATIC NAME: 1,2-dihydro-3$l^{6}-benzothiepine 3,3-dioxide
MOLECULAR FORMULA: C10H10O2S
MOLECULAR WEIGHT: 194.2502
SMILES: C1CS(=O)(=O)C=CC2=CC=CC=C21
Structure:
CAS RN: 5736-86-7
CAS Name: 1-(4-propoxyphenyl)ethanone
OPENEYE Name: 1-(4-propoxyphenyl)ethanone
IUPAC Name: 1-(4-propoxyphenyl)ethanone
SYSTEMATIC NAME: 1-(4-propoxyphenyl)ethanone
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CCCOC1=CC=C(C=C1)C(=O)C
Structure:
CAS RN: 63680-74-0
CAS Name: 1-(4-propoxyphenyl)ethanone
OPENEYE Name: 1-(4-propoxyphenyl)ethanone
IUPAC Name: 1-(4-propoxyphenyl)ethanone
SYSTEMATIC NAME: 1-(4-propoxyphenyl)ethanone
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CCCOC1=CC=C(C=C1)C(=O)C
Structure:
CAS RN: 125-72-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H29NO7
MOLECULAR WEIGHT: 407.45746
SMILES: CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)O.C(C(C(=O)O)O)(C(=O)O)O
Structure:
CAS RN: 20845-63-0
CAS Name: 1-(2-nitrophenyl)-1-propanone
OPENEYE Name: 1-(2-nitrophenyl)propan-1-one
IUPAC Name: 1-(2-nitrophenyl)propan-1-one
SYSTEMATIC NAME: 1-(2-nitrophenyl)propan-1-one
MOLECULAR FORMULA: C9H9NO3
MOLECULAR WEIGHT: 179.17266
SMILES: CCC(=O)C1=CC=CC=C1[N+](=O)[O-]
Structure:
CAS RN: 116163-90-7
CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-2-propen-1-one
OPENEYE Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-prop-2-en-1-one
IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylprop-2-en-1-one
SYSTEMATIC NAME: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-prop-2-en-1-one
MOLECULAR FORMULA: C13H15NO
MOLECULAR WEIGHT: 201.2643
SMILES: CC(=C)C(=O)N1CCC2=CC=CC=C2C1
Structure:
CAS RN: 7711-39-9
CAS Name: 1H-benzimidazole-4,7-dione
OPENEYE Name: 1H-benzimidazole-4,7-dione
IUPAC Name: 1H-benzimidazole-4,7-dione
SYSTEMATIC NAME: 1H-benzimidazole-4,7-dione
MOLECULAR FORMULA: C7H4N2O2
MOLECULAR WEIGHT: 148.11886
SMILES: C1=CC(=O)C2=C(C1=O)NC=N2
Structure:
CAS RN: 13088-34-1
CAS Name: 5-(dichloromethylidene)-2-furanone
OPENEYE Name: 5-(dichloromethylene)furan-2-one
IUPAC Name: 5-(dichloromethylidene)furan-2-one
SYSTEMATIC NAME: 5-[bis(chloranyl)methylidene]furan-2-one
MOLECULAR FORMULA: C5H2Cl2O2
MOLECULAR WEIGHT: 164.97418
SMILES: C1=CC(=O)OC1=C(Cl)Cl
Structure:
CAS RN: 102367-02-2
CAS Name: 2-[2-(2,5-dimethyl-1-pyrrolyl)ethoxy]-N,N-dimethylethanamine
OPENEYE Name: 2-[2-(2,5-dimethylpyrrol-1-yl)ethoxy]-N,N-dimethyl-ethanamine
IUPAC Name: 2-[2-(2,5-dimethylpyrrol-1-yl)ethoxy]-N,N-dimethylethanamine
SYSTEMATIC NAME: 2-[2-(2,5-dimethylpyrrol-1-yl)ethoxy]-N,N-dimethyl-ethanamine
MOLECULAR FORMULA: C12H22N2O
MOLECULAR WEIGHT: 210.31588
SMILES: CC1=CC=C(N1CCOCCN(C)C)C
Structure:
CAS RN: 102367-01-1
CAS Name: 2-[2-(2,5-dimethyl-1-pyrrolyl)ethoxy]-N,N-diethylethanamine
OPENEYE Name: 2-[2-(2,5-dimethylpyrrol-1-yl)ethoxy]-N,N-diethyl-ethanamine
IUPAC Name: 2-[2-(2,5-dimethylpyrrol-1-yl)ethoxy]-N,N-diethylethanamine
SYSTEMATIC NAME: 2-[2-(2,5-dimethylpyrrol-1-yl)ethoxy]-N,N-diethyl-ethanamine
MOLECULAR FORMULA: C14H26N2O
MOLECULAR WEIGHT: 238.36904
SMILES: CCN(CC)CCOCCN1C(=CC=C1C)C
Structure:
CAS RN: 7757-38-2
CAS Name: 2-methyl-1-[4-(2-methyl-1-oxoprop-2-enyl)-2,3-dihydroquinoxalin-1-yl]-2-propen-1-one
OPENEYE Name: 2-methyl-1-[4-(2-methylprop-2-enoyl)-2,3-dihydroquinoxalin-1-yl]prop-2-en-1-one
IUPAC Name: 2-methyl-1-[4-(2-methylprop-2-enoyl)-2,3-dihydroquinoxalin-1-yl]prop-2-en-1-one
SYSTEMATIC NAME: 2-methyl-1-[4-(2-methylprop-2-enoyl)-2,3-dihydroquinoxalin-1-yl]prop-2-en-1-one
MOLECULAR FORMULA: C16H18N2O2
MOLECULAR WEIGHT: 270.32632
SMILES: CC(=C)C(=O)N1CCN(C2=CC=CC=C21)C(=O)C(=C)C
Structure:
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