Tuesday, February 26, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-indan-5-yl-acetamide
CAS Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]acetamide
IUPAC NAME: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
SYSTEMATIC NAME: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanamide
MOLECULAR FORMULA: C23H29N3O3S
MOLECULAR WEIGHT: 427.55966
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC4=C(CCC4)C=C3)C
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Product OPENEYE NAME: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C18H20N2O6
MOLECULAR WEIGHT: 360.3612
SMILES: CC[C@H](C)NC(=O)NC(=O)COC(=O)C1=CC(=O)C2=C(O1)C=CC(=C2)C
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Product OPENEYE NAME: 2-methoxy-N-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]benzamide
CAS Name: 2-methoxy-N-[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]benzamide
IUPAC NAME: 2-methoxy-N-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]benzamide
SYSTEMATIC NAME: 2-methoxy-N-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoyl]benzamide
MOLECULAR FORMULA: C21H19N3O3S
MOLECULAR WEIGHT: 393.45886
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC(=O)C3=CC=CC=C3OC
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Product OPENEYE NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-[[(2S)-tetrahydropyran-2-yl]methyl]piperazin-4-ium
CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-4-[[(2S)-2-oxanyl]methyl]piperazin-4-ium
IUPAC NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-[[(2S)-oxan-2-yl]methyl]piperazin-4-ium
SYSTEMATIC NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-[[(2S)-oxan-2-yl]methyl]piperazin-4-ium
MOLECULAR FORMULA: C18H29N2O3S+
MOLECULAR WEIGHT: 353.49946
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C[C@@H]3CCCCO3)C
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Product OPENEYE NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-[[(2S)-tetrahydropyran-2-yl]methyl]piperazine
CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-4-[[(2S)-2-oxanyl]methyl]piperazine
IUPAC NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-[[(2S)-oxan-2-yl]methyl]piperazine
SYSTEMATIC NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-[[(2S)-oxan-2-yl]methyl]piperazine
MOLECULAR FORMULA: C18H28N2O3S
MOLECULAR WEIGHT: 352.49152
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C[C@@H]3CCCCO3)C
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Product OPENEYE NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperazin-4-ium
CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-4-[[(2R)-2-oxanyl]methyl]piperazin-4-ium
IUPAC NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium
SYSTEMATIC NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium
MOLECULAR FORMULA: C18H29N2O3S+
MOLECULAR WEIGHT: 353.49946
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C[C@H]3CCCCO3)C
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Product OPENEYE NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperazine
CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-4-[[(2R)-2-oxanyl]methyl]piperazine
IUPAC NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperazine
SYSTEMATIC NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperazine
MOLECULAR FORMULA: C18H28N2O3S
MOLECULAR WEIGHT: 352.49152
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C[C@H]3CCCCO3)C
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Product OPENEYE NAME: (2R)-2-(4-acetyl-2-methoxy-phenoxy)-N-(2,5-difluorophenyl)propanamide
CAS Name: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,5-difluorophenyl)propanamide
IUPAC NAME: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,5-difluorophenyl)propanamide
SYSTEMATIC NAME: (2R)-N-[2,5-bis(fluoranyl)phenyl]-2-(4-ethanoyl-2-methoxy-phenoxy)propanamide
MOLECULAR FORMULA: C18H17F2NO4
MOLECULAR WEIGHT: 349.328686
SMILES: C[C@H](C(=O)NC1=C(C=CC(=C1)F)F)OC2=C(C=C(C=C2)C(=O)C)OC
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Product OPENEYE NAME: (2S)-N-(methylcarbamoyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
CAS Name: (2S)-N-(methylcarbamoyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2S)-N-(methylcarbamoyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2S)-N-(methylcarbamoyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C16H18N4O2S
MOLECULAR WEIGHT: 330.40472
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@@H](C)C(=O)NC(=O)NC
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Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2,2,2-trifluoroethyl)acetamide
IUPAC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[2,2,2-tris(fluoranyl)ethyl]ethanamide
MOLECULAR FORMULA: C16H23F3N3O3S+
MOLECULAR WEIGHT: 394.43233
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCC(F)(F)F)C
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Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-N-(2,2,2-trifluoroethyl)acetamide
IUPAC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[2,2,2-tris(fluoranyl)ethyl]ethanamide
MOLECULAR FORMULA: C16H22F3N3O3S
MOLECULAR WEIGHT: 393.42439
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NCC(F)(F)F)C
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Product OPENEYE NAME: [2-[[2-(4-fluoroanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C21H17FN2O6
MOLECULAR WEIGHT: 412.367883
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)NCC(=O)NC3=CC=C(C=C3)F
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Product OPENEYE NAME: (2S)-2-(4-acetyl-2-methoxy-phenoxy)-N-(4-bromo-2-fluoro-phenyl)propanamide
CAS Name: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-bromo-2-fluorophenyl)propanamide
IUPAC NAME: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-bromo-2-fluorophenyl)propanamide
SYSTEMATIC NAME: (2S)-N-(4-bromanyl-2-fluoranyl-phenyl)-2-(4-ethanoyl-2-methoxy-phenoxy)propanamide
MOLECULAR FORMULA: C18H17BrFNO4
MOLECULAR WEIGHT: 410.234283
SMILES: C[C@@H](C(=O)NC1=C(C=C(C=C1)Br)F)OC2=C(C=C(C=C2)C(=O)C)OC
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Product OPENEYE NAME: (2R)-N-(methylcarbamoyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
CAS Name: (2R)-N-(methylcarbamoyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2R)-N-(methylcarbamoyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2R)-N-(methylcarbamoyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C16H18N4O2S
MOLECULAR WEIGHT: 330.40472
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@H](C)C(=O)NC(=O)NC
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