Sunday, March 31, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-(2-methyl-1H-indol-3-yl)ethanone
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
SYSTEMATIC NAME: 1-(2-methyl-1H-indol-3-yl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanone
MOLECULAR FORMULA: C21H24N3O3S+
MOLECULAR WEIGHT: 398.49856
SMILES: CC1=C(C2=CC=CC=C2N1)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4
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Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-1-(2-methyl-1H-indol-3-yl)ethanone
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
SYSTEMATIC NAME: 1-(2-methyl-1H-indol-3-yl)-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanone
MOLECULAR FORMULA: C21H23N3O3S
MOLECULAR WEIGHT: 397.49062
SMILES: CC1=C(C2=CC=CC=C2N1)C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4
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Product OPENEYE NAME: [2-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-oxoethyl] ester
IUPAC NAME: [2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C23H21NO4S
MOLECULAR WEIGHT: 407.48214
SMILES: CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)COC(=O)C3=CC4=CC=CC=C4OC3
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Product OPENEYE NAME: 1-(benzenesulfonyl)-4-[2-(2-fluorophenoxy)ethyl]piperazin-4-ium
CAS Name: 1-(benzenesulfonyl)-4-[2-(2-fluorophenoxy)ethyl]piperazin-4-ium
IUPAC NAME: 1-(benzenesulfonyl)-4-[2-(2-fluorophenoxy)ethyl]piperazin-4-ium
SYSTEMATIC NAME: 1-[2-(2-fluoranylphenoxy)ethyl]-4-(phenylsulfonyl)piperazin-1-ium
MOLECULAR FORMULA: C18H22FN2O3S+
MOLECULAR WEIGHT: 365.442283
SMILES: C1CN(CC[NH+]1CCOC2=CC=CC=C2F)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 1-(benzenesulfonyl)-4-[2-(2-fluorophenoxy)ethyl]piperazine
CAS Name: 1-(benzenesulfonyl)-4-[2-(2-fluorophenoxy)ethyl]piperazine
IUPAC NAME: 1-(benzenesulfonyl)-4-[2-(2-fluorophenoxy)ethyl]piperazine
SYSTEMATIC NAME: 1-[2-(2-fluoranylphenoxy)ethyl]-4-(phenylsulfonyl)piperazine
MOLECULAR FORMULA: C18H21FN2O3S
MOLECULAR WEIGHT: 364.434343
SMILES: C1CN(CCN1CCOC2=CC=CC=C2F)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: (E)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(3-nitrophenyl)prop-2-enamide
CAS Name: (E)-N-[2-[(2-fluorophenyl)methylthio]ethyl]-3-(3-nitrophenyl)-2-propenamide
IUPAC NAME: (E)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(3-nitrophenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(3-nitrophenyl)prop-2-enamide
MOLECULAR FORMULA: C18H17FN2O3S
MOLECULAR WEIGHT: 360.402583
SMILES: C1=CC=C(C(=C1)CSCCNC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])F
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Product OPENEYE NAME: 2-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]-N-(3,4-dimethylphenyl)acetamide
CAS Name: 2-[2-(3,4-dimethoxyphenyl)-4-thiazolyl]-N-(3,4-dimethylphenyl)acetamide
IUPAC NAME: 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(3,4-dimethylphenyl)acetamide
SYSTEMATIC NAME: 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(3,4-dimethylphenyl)ethanamide
MOLECULAR FORMULA: C21H22N2O3S
MOLECULAR WEIGHT: 382.47598
SMILES: CC1=C(C=C(C=C1)NC(=O)CC2=CSC(=N2)C3=CC(=C(C=C3)OC)OC)C
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(4-tert-butylphenoxy)acetate
CAS Name: 2-(4-tert-butylphenoxy)acetic acid [(2R)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-(4-tert-butylphenoxy)acetate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-(4-tert-butylphenoxy)ethanoate
MOLECULAR FORMULA: C21H29N3O4
MOLECULAR WEIGHT: 387.47266
SMILES: CC1=C(C(=NN1C)C)NC(=O)[C@@H](C)OC(=O)COC2=CC=C(C=C2)C(C)(C)C
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Product OPENEYE NAME: (1S)-2,2-dichloro-N-(3,4-dimethylphenyl)cyclopropanecarboxamide
CAS Name: (1S)-2,2-dichloro-N-(3,4-dimethylphenyl)-1-cyclopropanecarboxamide
IUPAC NAME: (1S)-2,2-dichloro-N-(3,4-dimethylphenyl)cyclopropane-1-carboxamide
SYSTEMATIC NAME: (1S)-2,2-bis(chloranyl)-N-(3,4-dimethylphenyl)cyclopropane-1-carboxamide
MOLECULAR FORMULA: C12H13Cl2NO
MOLECULAR WEIGHT: 258.14372
SMILES: CC1=C(C=C(C=C1)NC(=O)[C@@H]2CC2(Cl)Cl)C
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