Sunday, March 31, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(3-methylphenoxy)acetamide
CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-2-(3-methylphenoxy)acetamide
IUPAC NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(3-methylphenoxy)acetamide
SYSTEMATIC NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(3-methylphenoxy)ethanamide
MOLECULAR FORMULA: C18H20FNO2S
MOLECULAR WEIGHT: 333.420303
SMILES: CC1=CC(=CC=C1)OCC(=O)NCCSCC2=CC=CC=C2F
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-[(3-methylbenzoyl)amino]acetate
CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]acetic acid [(2S)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[(3-methylphenyl)carbonylamino]ethanoate
MOLECULAR FORMULA: C19H24N4O4
MOLECULAR WEIGHT: 372.41826
SMILES: CC1=CC=CC(=C1)C(=O)NCC(=O)O[C@@H](C)C(=O)NC2=C(N(N=C2C)C)C
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Product OPENEYE NAME: (2R)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide
CAS Name: (2R)-2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(methylcarbamoyl)propanamide
IUPAC NAME: (2R)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide
SYSTEMATIC NAME: (2R)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide
MOLECULAR FORMULA: C15H22ClN4O4S+
MOLECULAR WEIGHT: 389.87758
SMILES: C[C@H](C(=O)NC(=O)NC)[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: (2R)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)propanamide
CAS Name: (2R)-2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-N-(methylcarbamoyl)propanamide
IUPAC NAME: (2R)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)propanamide
SYSTEMATIC NAME: (2R)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)propanamide
MOLECULAR FORMULA: C15H21ClN4O4S
MOLECULAR WEIGHT: 388.86964
SMILES: C[C@H](C(=O)NC(=O)NC)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl] ester
IUPAC NAME: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C19H19NO4
MOLECULAR WEIGHT: 325.35846
SMILES: CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: (2S)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile
CAS Name: (2S)-2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]propanenitrile
IUPAC NAME: (2S)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile
SYSTEMATIC NAME: (2S)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile
MOLECULAR FORMULA: C13H17ClN3O2S+
MOLECULAR WEIGHT: 314.81098
SMILES: C[C@@H](C#N)[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: (2S)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]propanenitrile
CAS Name: (2S)-2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]propanenitrile
IUPAC NAME: (2S)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]propanenitrile
SYSTEMATIC NAME: (2S)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]propanenitrile
MOLECULAR FORMULA: C13H16ClN3O2S
MOLECULAR WEIGHT: 313.80304
SMILES: C[C@@H](C#N)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-[(3-methylbenzoyl)amino]acetate
CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]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-[(3-methylbenzoyl)amino]acetate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[(3-methylphenyl)carbonylamino]ethanoate
MOLECULAR FORMULA: C19H24N4O4
MOLECULAR WEIGHT: 372.41826
SMILES: CC1=CC=CC(=C1)C(=O)NCC(=O)O[C@H](C)C(=O)NC2=C(N(N=C2C)C)C
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Product OPENEYE NAME: N-(3,4-dimethylphenyl)-4-(methylsulfonylmethyl)benzamide
CAS Name: N-(3,4-dimethylphenyl)-4-(methylsulfonylmethyl)benzamide
IUPAC NAME: N-(3,4-dimethylphenyl)-4-(methylsulfonylmethyl)benzamide
SYSTEMATIC NAME: N-(3,4-dimethylphenyl)-4-(methylsulfonylmethyl)benzamide
MOLECULAR FORMULA: C17H19NO3S
MOLECULAR WEIGHT: 317.40266
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CS(=O)(=O)C)C
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Product OPENEYE NAME: 2-(3,5-dimethylphenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
CAS Name: 2-(3,5-dimethylphenoxy)-N-[2-[(2-fluorophenyl)methylthio]ethyl]acetamide
IUPAC NAME: 2-(3,5-dimethylphenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
SYSTEMATIC NAME: 2-(3,5-dimethylphenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]ethanamide
MOLECULAR FORMULA: C19H22FNO2S
MOLECULAR WEIGHT: 347.446883
SMILES: CC1=CC(=CC(=C1)OCC(=O)NCCSCC2=CC=CC=C2F)C
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