Tuesday, January 1, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (2S)-N-[1-(2,5-dimethylphenyl)ethyl]-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-butanamide
CAS Name: (2S)-N-[1-(2,5-dimethylphenyl)ethyl]-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
IUPAC NAME: (2S)-N-[1-(2,5-dimethylphenyl)ethyl]-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
SYSTEMATIC NAME: (2S)-N-[1-(2,5-dimethylphenyl)ethyl]-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-butanamide
MOLECULAR FORMULA: C21H27FN2O3S
MOLECULAR WEIGHT: 406.514083
SMILES: CC1=CC(=C(C=C1)C)C(C)NC(=O)[C@H](C(C)C)NS(=O)(=O)C2=CC=CC=C2F
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Product OPENEYE NAME: (2S)-N-benzyloxy-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanamide
CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-phenylmethoxybutanamide
IUPAC NAME: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-phenylmethoxybutanamide
SYSTEMATIC NAME: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-phenylmethoxy-butanamide
MOLECULAR FORMULA: C18H21BrN2O4S
MOLECULAR WEIGHT: 441.33934
SMILES: CC(C)[C@@H](C(=O)NOCC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)Br
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Product OPENEYE NAME: 4-methyl-N-[(1S)-2-methyl-1-[4-(2-methylpropanoyl)piperazine-1-carbonyl]propyl]benzenesulfonamide
CAS Name: 4-methyl-N-[(2S)-3-methyl-1-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-1-oxobutan-2-yl]benzenesulfonamide
IUPAC NAME: 4-methyl-N-[(2S)-3-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxobutan-2-yl]benzenesulfonamide
SYSTEMATIC NAME: 4-methyl-N-[(2S)-3-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]benzenesulfonamide
MOLECULAR FORMULA: C20H31N3O4S
MOLECULAR WEIGHT: 409.54284
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)N2CCN(CC2)C(=O)C(C)C
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Product OPENEYE NAME: N-[(1S)-2-(2-benzoylhydrazino)-1-benzyl-2-oxo-ethyl]furan-2-carboxamide
CAS Name: N-[(2S)-1-(benzoylhydrazo)-1-oxo-3-phenylpropan-2-yl]-2-furancarboxamide
IUPAC NAME: N-[(2S)-1-(2-benzoylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SYSTEMATIC NAME: N-[(2S)-1-oxidanylidene-3-phenyl-1-[2-(phenylcarbonyl)hydrazinyl]propan-2-yl]furan-2-carboxamide
MOLECULAR FORMULA: C21H19N3O4
MOLECULAR WEIGHT: 377.39326
SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)NNC(=O)C2=CC=CC=C2)NC(=O)C3=CC=CO3
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Product OPENEYE NAME: 2-chloro-N-[(1S)-2-[1-(4-imidazol-1-ylphenyl)ethylamino]-1-methyl-2-oxo-ethyl]benzamide
CAS Name: 2-chloro-N-[(2S)-1-[1-[4-(1-imidazolyl)phenyl]ethylamino]-1-oxopropan-2-yl]benzamide
IUPAC NAME: 2-chloro-N-[(2S)-1-[1-(4-imidazol-1-ylphenyl)ethylamino]-1-oxopropan-2-yl]benzamide
SYSTEMATIC NAME: 2-chloranyl-N-[(2S)-1-[1-(4-imidazol-1-ylphenyl)ethylamino]-1-oxidanylidene-propan-2-yl]benzamide
MOLECULAR FORMULA: C21H21ClN4O2
MOLECULAR WEIGHT: 396.87004
SMILES: C[C@@H](C(=O)NC(C)C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC=CC=C3Cl
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Product OPENEYE NAME: (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]propanamide
CAS Name: (2S)-2-[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]propanamide
IUPAC NAME: (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]propanamide
SYSTEMATIC NAME: (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-methyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]propanamide
MOLECULAR FORMULA: C23H24N4O4
MOLECULAR WEIGHT: 420.46106
SMILES: C[C@@H](C(=O)N(C)CC1=NC(=O)C2=CC=CC=C2N1)NC(=O)/C=C/C3=CC=C(C=C3)OC
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Product OPENEYE NAME: (3S)-N-(1-adamantyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CAS Name: (3S)-N-(1-adamantyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
IUPAC NAME: (3S)-N-(1-adamantyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
SYSTEMATIC NAME: (3S)-N-(1-adamantyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
MOLECULAR FORMULA: C22H30N2O3S
MOLECULAR WEIGHT: 402.5502
SMILES: CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NC34CC5CC(C3)CC(C5)C4
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Product OPENEYE NAME: (3S)-N-[1-(1-adamantyl)ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CAS Name: (3S)-N-[1-(1-adamantyl)ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
IUPAC NAME: (3S)-N-[1-(1-adamantyl)ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
SYSTEMATIC NAME: (3S)-N-[1-(1-adamantyl)ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
MOLECULAR FORMULA: C24H34N2O3S
MOLECULAR WEIGHT: 430.60336
SMILES: CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NC(C)C34CC5CC(C3)CC(C5)C4
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Product OPENEYE NAME: (2S)-N-[2-[(5E)-5-benzylidene-2,4-dioxo-thiazolidin-3-yl]ethyl]-2-(6-methoxy-2-naphthyl)propanamide
CAS Name: (2S)-N-[2-[(5E)-2,4-dioxo-5-(phenylmethylene)-3-thiazolidinyl]ethyl]-2-(6-methoxy-2-naphthalenyl)propanamide
IUPAC NAME: (2S)-N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
SYSTEMATIC NAME: (2S)-N-[2-[(5E)-2,4-bis(oxidanylidene)-5-(phenylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
MOLECULAR FORMULA: C26H24N2O4S
MOLECULAR WEIGHT: 460.54476
SMILES: C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)NCCN3C(=O)/C(=C\C4=CC=CC=C4)/SC3=O
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