Tuesday, February 26, 2013

All Chemical Compounds Information



Product OPENEYE NAME: (2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile
CAS Name: (2R)-2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]propanenitrile
IUPAC NAME: (2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile
SYSTEMATIC NAME: (2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile
MOLECULAR FORMULA: C15H22N3O2S+
MOLECULAR WEIGHT: 308.41908
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C#N)C
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Product OPENEYE NAME: (2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanenitrile
CAS Name: (2R)-2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]propanenitrile
IUPAC NAME: (2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanenitrile
SYSTEMATIC NAME: (2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanenitrile
MOLECULAR FORMULA: C15H21N3O2S
MOLECULAR WEIGHT: 307.41114
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)[C@H](C)C#N)C
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Product OPENEYE NAME: [(E)-cinnamyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [(E)-3-phenylprop-2-enyl] ester
IUPAC NAME: [(E)-3-phenylprop-2-enyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(E)-3-phenylprop-2-enyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C20H16O4
MOLECULAR WEIGHT: 320.33864
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OC/C=C/C3=CC=CC=C3
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Product OPENEYE NAME: (2R)-2-(4-acetyl-2-methoxy-phenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CAS Name: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
IUPAC NAME: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
SYSTEMATIC NAME: (2R)-N-[4-chloranyl-2-(trifluoromethyl)phenyl]-2-(4-ethanoyl-2-methoxy-phenoxy)propanamide
MOLECULAR FORMULA: C19H17ClF3NO4
MOLECULAR WEIGHT: 415.79079
SMILES: C[C@H](C(=O)NC1=C(C=C(C=C1)Cl)C(F)(F)F)OC2=C(C=C(C=C2)C(=O)C)OC
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Product OPENEYE NAME: (2R)-N-(3-cyanophenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
CAS Name: (2R)-N-(3-cyanophenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2R)-N-(3-cyanophenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2R)-N-(3-cyanophenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C21H18N4OS
MOLECULAR WEIGHT: 374.45882
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@H](C)C(=O)NC3=CC=CC(=C3)C#N
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Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(propylcarbamoyl)acetamide
CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[oxo(propylamino)methyl]acetamide
IUPAC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(propylcarbamoyl)acetamide
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(propylcarbamoyl)ethanamide
MOLECULAR FORMULA: C18H29N4O4S+
MOLECULAR WEIGHT: 397.51226
SMILES: CCCNC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)C)C
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Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(propylcarbamoyl)acetamide
CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-N-[oxo(propylamino)methyl]acetamide
IUPAC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(propylcarbamoyl)acetamide
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(propylcarbamoyl)ethanamide
MOLECULAR FORMULA: C18H28N4O4S
MOLECULAR WEIGHT: 396.50432
SMILES: CCCNC(=O)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)C)C
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Product OPENEYE NAME: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester
IUPAC NAME: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C21H16N2O5S
MOLECULAR WEIGHT: 408.42714
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)NC3=CC=CC=C3SCC#N
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Product OPENEYE NAME: 1-(2,4-dimethoxyphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
CAS Name: 1-(2,4-dimethoxyphenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethanone
IUPAC NAME: 1-(2,4-dimethoxyphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethanone
SYSTEMATIC NAME: 1-(2,4-dimethoxyphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
MOLECULAR FORMULA: C21H20N2O3S
MOLECULAR WEIGHT: 380.4601
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)C3=C(C=C(C=C3)OC)OC
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Product OPENEYE NAME: (2S)-2-(4-acetyl-2-methoxy-phenoxy)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CAS Name: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
IUPAC NAME: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
SYSTEMATIC NAME: (2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethanoyl-2-methoxy-phenoxy)propanamide
MOLECULAR FORMULA: C21H25NO6
MOLECULAR WEIGHT: 387.4263
SMILES: C[C@@H](C(=O)NCC1=CC(=C(C=C1)OC)OC)OC2=C(C=C(C=C2)C(=O)C)OC
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Product OPENEYE NAME: (2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(3S,5R)-3,5-dimethyl-1-piperidyl]propan-1-one
CAS Name: (2S)-2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-[(3S,5R)-3,5-dimethyl-1-piperidinyl]-1-propanone
IUPAC NAME: (2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-1-one
SYSTEMATIC NAME: (2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-1-one
MOLECULAR FORMULA: C22H36N3O3S+
MOLECULAR WEIGHT: 422.60454
SMILES: C[C@@H]1C[C@@H](CN(C1)C(=O)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C)C
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