Tuesday, May 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N,3-dimethyl-N-[(1R)-1-phenylethyl]quinoline-8-sulfonamide
CAS Name: N,3-dimethyl-N-[(1R)-1-phenylethyl]-8-quinolinesulfonamide
IUPAC NAME: N,3-dimethyl-N-[(1R)-1-phenylethyl]quinoline-8-sulfonamide
SYSTEMATIC NAME: N,3-dimethyl-N-[(1R)-1-phenylethyl]quinoline-8-sulfonamide
MOLECULAR FORMULA: C19H20N2O2S
MOLECULAR WEIGHT: 340.4393
SMILES: CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N(C)[C@H](C)C3=CC=CC=C3
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Product OPENEYE NAME: N,3-dimethyl-N-[(1S)-1-phenylethyl]quinoline-8-sulfonamide
CAS Name: N,3-dimethyl-N-[(1S)-1-phenylethyl]-8-quinolinesulfonamide
IUPAC NAME: N,3-dimethyl-N-[(1S)-1-phenylethyl]quinoline-8-sulfonamide
SYSTEMATIC NAME: N,3-dimethyl-N-[(1S)-1-phenylethyl]quinoline-8-sulfonamide
MOLECULAR FORMULA: C19H20N2O2S
MOLECULAR WEIGHT: 340.4393
SMILES: CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N(C)[C@@H](C)C3=CC=CC=C3
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Product OPENEYE NAME: 3-methyl-N-[2-(2-thienylmethylsulfanyl)ethyl]quinoline-8-sulfonamide
CAS Name: 3-methyl-N-[2-(thiophen-2-ylmethylthio)ethyl]-8-quinolinesulfonamide
IUPAC NAME: 3-methyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]quinoline-8-sulfonamide
SYSTEMATIC NAME: 3-methyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]quinoline-8-sulfonamide
MOLECULAR FORMULA: C17H18N2O2S3
MOLECULAR WEIGHT: 378.53202
SMILES: CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)NCCSCC3=CC=CS3
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Product OPENEYE NAME: 5-[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methyl-3H-thiazol-2-one
CAS Name: 5-[[(2S)-2-(4-ethoxyphenyl)-1-pyrrolidinyl]sulfonyl]-4-methyl-3H-thiazol-2-one
IUPAC NAME: 5-[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
SYSTEMATIC NAME: 5-[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
MOLECULAR FORMULA: C16H20N2O4S2
MOLECULAR WEIGHT: 368.471
SMILES: CCOC1=CC=C(C=C1)[C@@H]2CCCN2S(=O)(=O)C3=C(NC(=O)S3)C
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Product OPENEYE NAME: 5-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methyl-3H-thiazol-2-one
CAS Name: 5-[[(2R)-2-(4-ethoxyphenyl)-1-pyrrolidinyl]sulfonyl]-4-methyl-3H-thiazol-2-one
IUPAC NAME: 5-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
SYSTEMATIC NAME: 5-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
MOLECULAR FORMULA: C16H20N2O4S2
MOLECULAR WEIGHT: 368.471
SMILES: CCOC1=CC=C(C=C1)[C@H]2CCCN2S(=O)(=O)C3=C(NC(=O)S3)C
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Product OPENEYE NAME: 3-methyl-8-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]sulfonyl-quinoline
CAS Name: 3-methyl-8-[[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]sulfonyl]quinoline
IUPAC NAME: 3-methyl-8-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]sulfonylquinoline
SYSTEMATIC NAME: 3-methyl-8-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-quinoline
MOLECULAR FORMULA: C19H22N3O2S2+
MOLECULAR WEIGHT: 388.52688
SMILES: CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CC[NH+](CC3)CC4=CSC=C4
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Product OPENEYE NAME: 3-methyl-8-[4-(3-thienylmethyl)piperazin-1-yl]sulfonyl-quinoline
CAS Name: 3-methyl-8-[[4-(3-thiophenylmethyl)-1-piperazinyl]sulfonyl]quinoline
IUPAC NAME: 3-methyl-8-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonylquinoline
SYSTEMATIC NAME: 3-methyl-8-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonyl-quinoline
MOLECULAR FORMULA: C19H21N3O2S2
MOLECULAR WEIGHT: 387.51894
SMILES: CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCN(CC3)CC4=CSC=C4
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Product OPENEYE NAME: N-[2-(3,5-dimethylphenoxy)ethyl]-N,4-dimethyl-2-oxo-3H-thiazole-5-sulfonamide
CAS Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N,4-dimethyl-2-oxo-3H-thiazole-5-sulfonamide
IUPAC NAME: N-[2-(3,5-dimethylphenoxy)ethyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SYSTEMATIC NAME: N-[2-(3,5-dimethylphenoxy)ethyl]-N,4-dimethyl-2-oxidanylidene-3H-1,3-thiazole-5-sulfonamide
MOLECULAR FORMULA: C15H20N2O4S2
MOLECULAR WEIGHT: 356.4603
SMILES: CC1=CC(=CC(=C1)OCCN(C)S(=O)(=O)C2=C(NC(=O)S2)C)C
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Product OPENEYE NAME: N-[2-(2-fluorophenoxy)ethyl]-N,4-dimethyl-2-oxo-3H-thiazole-5-sulfonamide
CAS Name: N-[2-(2-fluorophenoxy)ethyl]-N,4-dimethyl-2-oxo-3H-thiazole-5-sulfonamide
IUPAC NAME: N-[2-(2-fluorophenoxy)ethyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SYSTEMATIC NAME: N-[2-(2-fluoranylphenoxy)ethyl]-N,4-dimethyl-2-oxidanylidene-3H-1,3-thiazole-5-sulfonamide
MOLECULAR FORMULA: C13H15FN2O4S2
MOLECULAR WEIGHT: 346.397603
SMILES: CC1=C(SC(=O)N1)S(=O)(=O)N(C)CCOC2=CC=CC=C2F
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Product OPENEYE NAME: 3-methyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]quinoline-8-sulfonamide
CAS Name: 3-methyl-N-[[4-(1-pyrazolylmethyl)phenyl]methyl]-8-quinolinesulfonamide
IUPAC NAME: 3-methyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]quinoline-8-sulfonamide
SYSTEMATIC NAME: 3-methyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]quinoline-8-sulfonamide
MOLECULAR FORMULA: C21H20N4O2S
MOLECULAR WEIGHT: 392.4741
SMILES: CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)NCC3=CC=C(C=C3)CN4C=CC=N4
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Product OPENEYE NAME: N-[(3-fluoro-4-methyl-phenyl)methyl]-4-methyl-2-oxo-3H-thiazole-5-sulfonamide
CAS Name: N-[(3-fluoro-4-methylphenyl)methyl]-4-methyl-2-oxo-3H-thiazole-5-sulfonamide
IUPAC NAME: N-[(3-fluoro-4-methylphenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SYSTEMATIC NAME: N-[(3-fluoranyl-4-methyl-phenyl)methyl]-4-methyl-2-oxidanylidene-3H-1,3-thiazole-5-sulfonamide
MOLECULAR FORMULA: C12H13FN2O3S2
MOLECULAR WEIGHT: 316.371623
SMILES: CC1=C(C=C(C=C1)CNS(=O)(=O)C2=C(NC(=O)S2)C)F
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Product OPENEYE NAME: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CAS Name: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
IUPAC NAME: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
SYSTEMATIC NAME: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-3-oxidanylidene-4H-1,4-benzoxazine-6-sulfonamide
MOLECULAR FORMULA: C15H17N5O4S
MOLECULAR WEIGHT: 363.39158
SMILES: CN(CC1=NN=C2N1CCC2)S(=O)(=O)C3=CC4=C(C=C3)OCC(=O)N4
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Product OPENEYE NAME: 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-methyl-3H-thiazol-2-one
CAS Name: 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-methyl-3H-thiazol-2-one
IUPAC NAME: 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-methyl-3H-1,3-thiazol-2-one
SYSTEMATIC NAME: 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-methyl-3H-1,3-thiazol-2-one
MOLECULAR FORMULA: C11H12N2O3S3
MOLECULAR WEIGHT: 316.41958
SMILES: CC1=C(SC(=O)N1)S(=O)(=O)N2CCC3=C(C2)C=CS3
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Product OPENEYE NAME: (4-methoxyphenyl)-[1-[(3-methyl-8-quinolyl)sulfonyl]-4-piperidyl]methanone
CAS Name: (4-methoxyphenyl)-[1-[(3-methyl-8-quinolinyl)sulfonyl]-4-piperidinyl]methanone
IUPAC NAME: (4-methoxyphenyl)-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]methanone
SYSTEMATIC NAME: (4-methoxyphenyl)-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]methanone
MOLECULAR FORMULA: C23H24N2O4S
MOLECULAR WEIGHT: 424.51266
SMILES: CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCC(CC3)C(=O)C4=CC=C(C=C4)OC
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Product OPENEYE NAME: 1-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-N,N-dimethyl-indoline-5-sulfonamide
CAS Name: 1-[[1-(2,2-dimethyl-1-oxopropyl)-4-piperidinyl]-oxomethyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
IUPAC NAME: 1-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
SYSTEMATIC NAME: 1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]carbonyl-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
MOLECULAR FORMULA: C21H31N3O4S
MOLECULAR WEIGHT: 421.55354
SMILES: CC(C)(C)C(=O)N1CCC(CC1)C(=O)N2CCC3=C2C=CC(=C3)S(=O)(=O)N(C)C
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Product OPENEYE NAME: ethyl (2S)-2-[4-(2-amino-2-oxo-ethyl)piperazin-4-ium-1-yl]-2-(4-chlorophenyl)acetate
CAS Name: (2S)-2-[4-(2-amino-2-oxoethyl)-1-piperazin-4-iumyl]-2-(4-chlorophenyl)acetic acid ethyl ester
IUPAC NAME: ethyl (2S)-2-[4-(2-amino-2-oxoethyl)piperazin-4-ium-1-yl]-2-(4-chlorophenyl)acetate
SYSTEMATIC NAME: ethyl (2S)-2-[4-(2-azanyl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]-2-(4-chlorophenyl)ethanoate
MOLECULAR FORMULA: C16H23ClN3O3+
MOLECULAR WEIGHT: 340.82512
SMILES: CCOC(=O)[C@H](C1=CC=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)N
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Product OPENEYE NAME: ethyl (2S)-2-[4-(2-amino-2-oxo-ethyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate
CAS Name: (2S)-2-[4-(2-amino-2-oxoethyl)-1-piperazinyl]-2-(4-chlorophenyl)acetic acid ethyl ester
IUPAC NAME: ethyl (2S)-2-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate
SYSTEMATIC NAME: ethyl (2S)-2-[4-(2-azanyl-2-oxidanylidene-ethyl)piperazin-1-yl]-2-(4-chlorophenyl)ethanoate
MOLECULAR FORMULA: C16H22ClN3O3
MOLECULAR WEIGHT: 339.81718
SMILES: CCOC(=O)[C@H](C1=CC=C(C=C1)Cl)N2CCN(CC2)CC(=O)N
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Product OPENEYE NAME: ethyl (2R)-2-[4-(2-amino-2-oxo-ethyl)piperazin-4-ium-1-yl]-2-(4-chlorophenyl)acetate
CAS Name: (2R)-2-[4-(2-amino-2-oxoethyl)-1-piperazin-4-iumyl]-2-(4-chlorophenyl)acetic acid ethyl ester
IUPAC NAME: ethyl (2R)-2-[4-(2-amino-2-oxoethyl)piperazin-4-ium-1-yl]-2-(4-chlorophenyl)acetate
SYSTEMATIC NAME: ethyl (2R)-2-[4-(2-azanyl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]-2-(4-chlorophenyl)ethanoate
MOLECULAR FORMULA: C16H23ClN3O3+
MOLECULAR WEIGHT: 340.82512
SMILES: CCOC(=O)[C@@H](C1=CC=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)N
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