Friday, May 31, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 3-(allylsulfamoyl)-4-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CAS Name: 4-chloro-N-[(3R)-1,1-dioxo-3-thiolanyl]-3-(prop-2-enylsulfamoyl)benzamide
IUPAC NAME: 4-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-3-(prop-2-enylsulfamoyl)benzamide
SYSTEMATIC NAME: N-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-chloranyl-3-(prop-2-enylsulfamoyl)benzamide
MOLECULAR FORMULA: C14H17ClN2O5S2
MOLECULAR WEIGHT: 392.87818
SMILES: C=CCNS(=O)(=O)C1=C(C=CC(=C1)C(=O)N[C@@H]2CCS(=O)(=O)C2)Cl
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Product OPENEYE NAME: 3-(allylsulfamoyl)-4-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CAS Name: 4-chloro-N-[(3S)-1,1-dioxo-3-thiolanyl]-3-(prop-2-enylsulfamoyl)benzamide
IUPAC NAME: 4-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-3-(prop-2-enylsulfamoyl)benzamide
SYSTEMATIC NAME: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-chloranyl-3-(prop-2-enylsulfamoyl)benzamide
MOLECULAR FORMULA: C14H17ClN2O5S2
MOLECULAR WEIGHT: 392.87818
SMILES: C=CCNS(=O)(=O)C1=C(C=CC(=C1)C(=O)N[C@H]2CCS(=O)(=O)C2)Cl
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Product OPENEYE NAME: 4-(2-cyanoethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CAS Name: 4-(2-cyanoethylsulfamoyl)-N-[(3R)-1,1-dioxo-3-thiolanyl]benzamide
IUPAC NAME: 4-(2-cyanoethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
SYSTEMATIC NAME: N-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-(2-cyanoethylsulfamoyl)benzamide
MOLECULAR FORMULA: C14H17N3O5S2
MOLECULAR WEIGHT: 371.43188
SMILES: C1CS(=O)(=O)C[C@@H]1NC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N
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Product OPENEYE NAME: 4-(2-cyanoethylsulfamoyl)-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CAS Name: 4-(2-cyanoethylsulfamoyl)-N-[(3S)-1,1-dioxo-3-thiolanyl]benzamide
IUPAC NAME: 4-(2-cyanoethylsulfamoyl)-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
SYSTEMATIC NAME: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-(2-cyanoethylsulfamoyl)benzamide
MOLECULAR FORMULA: C14H17N3O5S2
MOLECULAR WEIGHT: 371.43188
SMILES: C1CS(=O)(=O)C[C@H]1NC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N
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Product OPENEYE NAME: (3R)-1-[(5-methyl-2-thienyl)sulfonyl]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CAS Name: (3R)-1-[(5-methyl-2-thiophenyl)sulfonyl]-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-3-piperidinecarboxamide
IUPAC NAME: (3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
SYSTEMATIC NAME: (3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
MOLECULAR FORMULA: C23H32N3O3S2+
MOLECULAR WEIGHT: 462.64848
SMILES: CC1=CC=C(S1)S(=O)(=O)N2CCC[C@H](C2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4
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Product OPENEYE NAME: (3R)-1-[(5-methyl-2-thienyl)sulfonyl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CAS Name: (3R)-1-[(5-methyl-2-thiophenyl)sulfonyl]-N-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]-3-piperidinecarboxamide
IUPAC NAME: (3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
SYSTEMATIC NAME: (3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
MOLECULAR FORMULA: C23H31N3O3S2
MOLECULAR WEIGHT: 461.64054
SMILES: CC1=CC=C(S1)S(=O)(=O)N2CCC[C@H](C2)C(=O)NCC3=CC=CC=C3CN4CCCC4
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Product OPENEYE NAME: (3S)-1-[(5-methyl-2-thienyl)sulfonyl]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CAS Name: (3S)-1-[(5-methyl-2-thiophenyl)sulfonyl]-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-3-piperidinecarboxamide
IUPAC NAME: (3S)-1-(5-methylthiophen-2-yl)sulfonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
SYSTEMATIC NAME: (3S)-1-(5-methylthiophen-2-yl)sulfonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
MOLECULAR FORMULA: C23H32N3O3S2+
MOLECULAR WEIGHT: 462.64848
SMILES: CC1=CC=C(S1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4
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Product OPENEYE NAME: (3S)-1-[(5-methyl-2-thienyl)sulfonyl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CAS Name: (3S)-1-[(5-methyl-2-thiophenyl)sulfonyl]-N-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]-3-piperidinecarboxamide
IUPAC NAME: (3S)-1-(5-methylthiophen-2-yl)sulfonyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
SYSTEMATIC NAME: (3S)-1-(5-methylthiophen-2-yl)sulfonyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
MOLECULAR FORMULA: C23H31N3O3S2
MOLECULAR WEIGHT: 461.64054
SMILES: CC1=CC=C(S1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NCC3=CC=CC=C3CN4CCCC4
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Product OPENEYE NAME: 1,3,5-trimethyl-N-(4-methylsulfanylphenyl)pyrazole-4-carboxamide
CAS Name: 1,3,5-trimethyl-N-[4-(methylthio)phenyl]-4-pyrazolecarboxamide
IUPAC NAME: 1,3,5-trimethyl-N-(4-methylsulfanylphenyl)pyrazole-4-carboxamide
SYSTEMATIC NAME: 1,3,5-trimethyl-N-(4-methylsulfanylphenyl)pyrazole-4-carboxamide
MOLECULAR FORMULA: C14H17N3OS
MOLECULAR WEIGHT: 275.36928
SMILES: CC1=C(C(=NN1C)C)C(=O)NC2=CC=C(C=C2)SC
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Product OPENEYE NAME: N-[(3R)-1,1-dioxothiolan-3-yl]-2-morpholino-pyridine-3-carboxamide
CAS Name: N-[(3R)-1,1-dioxo-3-thiolanyl]-2-(4-morpholinyl)-3-pyridinecarboxamide
IUPAC NAME: N-[(3R)-1,1-dioxothiolan-3-yl]-2-morpholin-4-ylpyridine-3-carboxamide
SYSTEMATIC NAME: N-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-morpholin-4-yl-pyridine-3-carboxamide
MOLECULAR FORMULA: C14H19N3O4S
MOLECULAR WEIGHT: 325.38336
SMILES: C1CS(=O)(=O)C[C@@H]1NC(=O)C2=C(N=CC=C2)N3CCOCC3
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Product OPENEYE NAME: N-[(3S)-1,1-dioxothiolan-3-yl]-2-morpholino-pyridine-3-carboxamide
CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-2-(4-morpholinyl)-3-pyridinecarboxamide
IUPAC NAME: N-[(3S)-1,1-dioxothiolan-3-yl]-2-morpholin-4-ylpyridine-3-carboxamide
SYSTEMATIC NAME: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-morpholin-4-yl-pyridine-3-carboxamide
MOLECULAR FORMULA: C14H19N3O4S
MOLECULAR WEIGHT: 325.38336
SMILES: C1CS(=O)(=O)C[C@H]1NC(=O)C2=C(N=CC=C2)N3CCOCC3
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Product OPENEYE NAME: 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-N-[[4-(1-piperidyl)phenyl]methyl]acetamide
CAS Name: 2-[(1-cyclopropyl-5-tetrazolyl)thio]-N-methyl-N-[[4-(1-piperidinyl)phenyl]methyl]acetamide
IUPAC NAME: 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
SYSTEMATIC NAME: 2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]ethanamide
MOLECULAR FORMULA: C19H26N6OS
MOLECULAR WEIGHT: 386.51434
SMILES: CN(CC1=CC=C(C=C1)N2CCCCC2)C(=O)CSC3=NN=NN3C4CC4
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Product OPENEYE NAME: (1,5-dimethylpyrazol-4-yl)-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]methanone
CAS Name: (1,5-dimethyl-4-pyrazolyl)-[(2S)-2-(4-methoxyphenyl)-1-azepanyl]methanone
IUPAC NAME: (1,5-dimethylpyrazol-4-yl)-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]methanone
SYSTEMATIC NAME: (1,5-dimethylpyrazol-4-yl)-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]methanone
MOLECULAR FORMULA: C19H25N3O2
MOLECULAR WEIGHT: 327.4207
SMILES: CC1=C(C=NN1C)C(=O)N2CCCCC[C@H]2C3=CC=C(C=C3)OC
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Product OPENEYE NAME: (1,5-dimethylpyrazol-4-yl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone
CAS Name: (1,5-dimethyl-4-pyrazolyl)-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]methanone
IUPAC NAME: (1,5-dimethylpyrazol-4-yl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone
SYSTEMATIC NAME: (1,5-dimethylpyrazol-4-yl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone
MOLECULAR FORMULA: C19H25N3O2
MOLECULAR WEIGHT: 327.4207
SMILES: CC1=C(C=NN1C)C(=O)N2CCCCC[C@@H]2C3=CC=C(C=C3)OC
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Product OPENEYE NAME: N-[3-(3-methylphenoxy)propyl]-2-(1,2,4-triazol-1-yl)acetamide
CAS Name: N-[3-(3-methylphenoxy)propyl]-2-(1,2,4-triazol-1-yl)acetamide
IUPAC NAME: N-[3-(3-methylphenoxy)propyl]-2-(1,2,4-triazol-1-yl)acetamide
SYSTEMATIC NAME: N-[3-(3-methylphenoxy)propyl]-2-(1,2,4-triazol-1-yl)ethanamide
MOLECULAR FORMULA: C14H18N4O2
MOLECULAR WEIGHT: 274.31832
SMILES: CC1=CC(=CC=C1)OCCCNC(=O)CN2C=NC=N2
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Product OPENEYE NAME: 4-bromo-1-methyl-N'-[2-[2-oxo-2-(1-piperidyl)ethyl]sulfanylacetyl]pyrrole-2-carbohydrazide
CAS Name: 4-bromo-1-methyl-N'-[1-oxo-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]ethyl]-2-pyrrolecarbohydrazide
IUPAC NAME: 4-bromo-1-methyl-N'-[2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetyl]pyrrole-2-carbohydrazide
SYSTEMATIC NAME: 4-bromanyl-1-methyl-N'-[2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanylethanoyl]pyrrole-2-carbohydrazide
MOLECULAR FORMULA: C15H21BrN4O3S
MOLECULAR WEIGHT: 417.32124
SMILES: CN1C=C(C=C1C(=O)NNC(=O)CSCC(=O)N2CCCCC2)Br
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Product OPENEYE NAME: N'-(4-bromo-1-methyl-pyrrole-2-carbonyl)-1,3,5-trimethyl-pyrazole-4-carbohydrazide
CAS Name: N'-[(4-bromo-1-methyl-2-pyrrolyl)-oxomethyl]-1,3,5-trimethyl-4-pyrazolecarbohydrazide
IUPAC NAME: N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1,3,5-trimethylpyrazole-4-carbohydrazide
SYSTEMATIC NAME: N'-(4-bromanyl-1-methyl-pyrrol-2-yl)carbonyl-1,3,5-trimethyl-pyrazole-4-carbohydrazide
MOLECULAR FORMULA: C13H16BrN5O2
MOLECULAR WEIGHT: 354.20244
SMILES: CC1=C(C(=NN1C)C)C(=O)NNC(=O)C2=CC(=CN2C)Br
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Product OPENEYE NAME: 4-chloro-N-[(2R)-2-(5-methyl-2-furyl)-2-morpholino-ethyl]-1H-pyrrole-2-carboxamide
CAS Name: 4-chloro-N-[(2R)-2-(5-methyl-2-furanyl)-2-(4-morpholinyl)ethyl]-1H-pyrrole-2-carboxamide
IUPAC NAME: 4-chloro-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1H-pyrrole-2-carboxamide
SYSTEMATIC NAME: 4-chloranyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-yl-ethyl]-1H-pyrrole-2-carboxamide
MOLECULAR FORMULA: C16H20ClN3O3
MOLECULAR WEIGHT: 337.8013
SMILES: CC1=CC=C(O1)[C@@H](CNC(=O)C2=CC(=CN2)Cl)N3CCOCC3
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Product OPENEYE NAME: 4-chloro-N-[(2S)-2-(5-methyl-2-furyl)-2-morpholino-ethyl]-1H-pyrrole-2-carboxamide
CAS Name: 4-chloro-N-[(2S)-2-(5-methyl-2-furanyl)-2-(4-morpholinyl)ethyl]-1H-pyrrole-2-carboxamide
IUPAC NAME: 4-chloro-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1H-pyrrole-2-carboxamide
SYSTEMATIC NAME: 4-chloranyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-yl-ethyl]-1H-pyrrole-2-carboxamide
MOLECULAR FORMULA: C16H20ClN3O3
MOLECULAR WEIGHT: 337.8013
SMILES: CC1=CC=C(O1)[C@H](CNC(=O)C2=CC(=CN2)Cl)N3CCOCC3
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Product OPENEYE NAME: (4-benzyloxy-1-piperidyl)-[2-[(3,5-dimethylisoxazol-4-yl)methoxy]phenyl]methanone
CAS Name: [2-[(3,5-dimethyl-4-isoxazolyl)methoxy]phenyl]-(4-phenylmethoxy-1-piperidinyl)methanone
IUPAC NAME: [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone
SYSTEMATIC NAME: [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone
MOLECULAR FORMULA: C25H28N2O4
MOLECULAR WEIGHT: 420.50082
SMILES: CC1=C(C(=NO1)C)COC2=CC=CC=C2C(=O)N3CCC(CC3)OCC4=CC=CC=C4
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Product OPENEYE NAME: N-cyclopropyl-2,2-dimethyl-N-(2-pyridylmethyl)propanamide
CAS Name: N-cyclopropyl-2,2-dimethyl-N-(2-pyridinylmethyl)propanamide
IUPAC NAME: N-cyclopropyl-2,2-dimethyl-N-(pyridin-2-ylmethyl)propanamide
SYSTEMATIC NAME: N-cyclopropyl-2,2-dimethyl-N-(pyridin-2-ylmethyl)propanamide
MOLECULAR FORMULA: C14H20N2O
MOLECULAR WEIGHT: 232.3214
SMILES: CC(C)(C)C(=O)N(CC1=CC=CC=N1)C2CC2
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Product OPENEYE NAME: (2R)-N-cyclopropyl-2-methyl-N-(2-pyridylmethyl)butanamide
CAS Name: (2R)-N-cyclopropyl-2-methyl-N-(2-pyridinylmethyl)butanamide
IUPAC NAME: (2R)-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)butanamide
SYSTEMATIC NAME: (2R)-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)butanamide
MOLECULAR FORMULA: C14H20N2O
MOLECULAR WEIGHT: 232.3214
SMILES: CC[C@@H](C)C(=O)N(CC1=CC=CC=N1)C2CC2
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Product OPENEYE NAME: (2S)-N-cyclopropyl-2-methyl-N-(2-pyridylmethyl)butanamide
CAS Name: (2S)-N-cyclopropyl-2-methyl-N-(2-pyridinylmethyl)butanamide
IUPAC NAME: (2S)-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)butanamide
SYSTEMATIC NAME: (2S)-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)butanamide
MOLECULAR FORMULA: C14H20N2O
MOLECULAR WEIGHT: 232.3214
SMILES: CC[C@H](C)C(=O)N(CC1=CC=CC=N1)C2CC2
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Product OPENEYE NAME: (2R)-N-methoxy-2-(4-methylphenoxy)propanamide
CAS Name: (2R)-N-methoxy-2-(4-methylphenoxy)propanamide
IUPAC NAME: (2R)-N-methoxy-2-(4-methylphenoxy)propanamide
SYSTEMATIC NAME: (2R)-N-methoxy-2-(4-methylphenoxy)propanamide
MOLECULAR FORMULA: C11H15NO3
MOLECULAR WEIGHT: 209.2417
SMILES: CC1=CC=C(C=C1)O[C@H](C)C(=O)NOC
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