Tuesday, May 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [(3R)-3-hydroxy-1-piperidyl]-[3-methyl-6-(5-methyl-2-thienyl)isoxazolo[5,4-b]pyridin-4-yl]methanone
CAS Name: [(3R)-3-hydroxy-1-piperidinyl]-[3-methyl-6-(5-methyl-2-thiophenyl)-4-isoxazolo[5,4-b]pyridinyl]methanone
IUPAC NAME: [(3R)-3-hydroxypiperidin-1-yl]-[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
SYSTEMATIC NAME: [3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[(3R)-3-oxidanylpiperidin-1-yl]methanone
MOLECULAR FORMULA: C18H19N3O3S
MOLECULAR WEIGHT: 357.42676
SMILES: CC1=CC=C(S1)C2=NC3=C(C(=NO3)C)C(=C2)C(=O)N4CCC[C@H](C4)O
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Product OPENEYE NAME: [(3S)-3-hydroxy-1-piperidyl]-[3-methyl-6-(5-methyl-2-thienyl)isoxazolo[5,4-b]pyridin-4-yl]methanone
CAS Name: [(3S)-3-hydroxy-1-piperidinyl]-[3-methyl-6-(5-methyl-2-thiophenyl)-4-isoxazolo[5,4-b]pyridinyl]methanone
IUPAC NAME: [(3S)-3-hydroxypiperidin-1-yl]-[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
SYSTEMATIC NAME: [3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[(3S)-3-oxidanylpiperidin-1-yl]methanone
MOLECULAR FORMULA: C18H19N3O3S
MOLECULAR WEIGHT: 357.42676
SMILES: CC1=CC=C(S1)C2=NC3=C(C(=NO3)C)C(=C2)C(=O)N4CCC[C@@H](C4)O
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Product OPENEYE NAME: (3R)-3-[3-[(3R)-3-hydroxy-1-piperidyl]-3-oxo-propyl]-3,4-dihydro-1H-quinolin-2-one
CAS Name: (3R)-3-[3-[(3R)-3-hydroxy-1-piperidinyl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
IUPAC NAME: (3R)-3-[3-[(3R)-3-hydroxypiperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
SYSTEMATIC NAME: (3R)-3-[3-oxidanylidene-3-[(3R)-3-oxidanylpiperidin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one
MOLECULAR FORMULA: C17H22N2O3
MOLECULAR WEIGHT: 302.36818
SMILES: C1C[C@H](CN(C1)C(=O)CC[C@@H]2CC3=CC=CC=C3NC2=O)O
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Product OPENEYE NAME: (3R)-3-[3-[(3S)-3-hydroxy-1-piperidyl]-3-oxo-propyl]-3,4-dihydro-1H-quinolin-2-one
CAS Name: (3R)-3-[3-[(3S)-3-hydroxy-1-piperidinyl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
IUPAC NAME: (3R)-3-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
SYSTEMATIC NAME: (3R)-3-[3-oxidanylidene-3-[(3S)-3-oxidanylpiperidin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one
MOLECULAR FORMULA: C17H22N2O3
MOLECULAR WEIGHT: 302.36818
SMILES: C1C[C@@H](CN(C1)C(=O)CC[C@@H]2CC3=CC=CC=C3NC2=O)O
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Product OPENEYE NAME: (3S)-3-[3-[(3R)-3-hydroxy-1-piperidyl]-3-oxo-propyl]-3,4-dihydro-1H-quinolin-2-one
CAS Name: (3S)-3-[3-[(3R)-3-hydroxy-1-piperidinyl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
IUPAC NAME: (3S)-3-[3-[(3R)-3-hydroxypiperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
SYSTEMATIC NAME: (3S)-3-[3-oxidanylidene-3-[(3R)-3-oxidanylpiperidin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one
MOLECULAR FORMULA: C17H22N2O3
MOLECULAR WEIGHT: 302.36818
SMILES: C1C[C@H](CN(C1)C(=O)CC[C@H]2CC3=CC=CC=C3NC2=O)O
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Product OPENEYE NAME: (3S)-3-[3-[(3S)-3-hydroxy-1-piperidyl]-3-oxo-propyl]-3,4-dihydro-1H-quinolin-2-one
CAS Name: (3S)-3-[3-[(3S)-3-hydroxy-1-piperidinyl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
IUPAC NAME: (3S)-3-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
SYSTEMATIC NAME: (3S)-3-[3-oxidanylidene-3-[(3S)-3-oxidanylpiperidin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one
MOLECULAR FORMULA: C17H22N2O3
MOLECULAR WEIGHT: 302.36818
SMILES: C1C[C@@H](CN(C1)C(=O)CC[C@H]2CC3=CC=CC=C3NC2=O)O
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Product OPENEYE NAME: N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-benzamide
CAS Name: 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
IUPAC NAME: 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SYSTEMATIC NAME: 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
MOLECULAR FORMULA: C20H22N4O4S2
MOLECULAR WEIGHT: 446.54308
SMILES: CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)OC)C(=O)NC3=NN=C(S3)C(C)C
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Product OPENEYE NAME: N-[4-[(E)-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxo-prop-1-enyl]phenyl]acetamide
CAS Name: N-[4-[(E)-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxoprop-1-enyl]phenyl]acetamide
IUPAC NAME: N-[4-[(E)-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxoprop-1-enyl]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[(E)-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxidanylidene-prop-1-enyl]phenyl]ethanamide
MOLECULAR FORMULA: C22H24FN3O4S
MOLECULAR WEIGHT: 445.507063
SMILES: CC(=O)NC1=CC=C(C=C1)/C=C/C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F
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Product OPENEYE NAME: methyl 5-[3-(4-acetylphenoxy)propanoylamino]thiophene-2-carboxylate
CAS Name: 5-[[3-(4-acetylphenoxy)-1-oxopropyl]amino]-2-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 5-[3-(4-acetylphenoxy)propanoylamino]thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 5-[3-(4-ethanoylphenoxy)propanoylamino]thiophene-2-carboxylate
MOLECULAR FORMULA: C17H17NO5S
MOLECULAR WEIGHT: 347.38558
SMILES: CC(=O)C1=CC=C(C=C1)OCCC(=O)NC2=CC=C(S2)C(=O)OC
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Product OPENEYE NAME: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-oxo-3H-thiazole-5-sulfonamide
CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-oxo-3H-thiazole-5-sulfonamide
IUPAC NAME: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SYSTEMATIC NAME: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-oxidanylidene-3H-1,3-thiazole-5-sulfonamide
MOLECULAR FORMULA: C12H12N2O5S2
MOLECULAR WEIGHT: 328.36408
SMILES: CC1=C(SC(=O)N1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3
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Product OPENEYE NAME: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methyl-3H-thiazol-2-one
CAS Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methyl-3H-thiazol-2-one
IUPAC NAME: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methyl-3H-1,3-thiazol-2-one
SYSTEMATIC NAME: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methyl-3H-1,3-thiazol-2-one
MOLECULAR FORMULA: C13H14N2O3S2
MOLECULAR WEIGHT: 310.39186
SMILES: CC1=C(SC(=O)N1)S(=O)(=O)N2CCC3=CC=CC=C3C2
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Product OPENEYE NAME: 4-methyl-N-[(1S)-1-methyl-3-phenyl-propyl]-2-oxo-3H-thiazole-5-sulfonamide
CAS Name: 4-methyl-2-oxo-N-[(2S)-4-phenylbutan-2-yl]-3H-thiazole-5-sulfonamide
IUPAC NAME: 4-methyl-2-oxo-N-[(2S)-4-phenylbutan-2-yl]-3H-1,3-thiazole-5-sulfonamide
SYSTEMATIC NAME: 4-methyl-2-oxidanylidene-N-[(2S)-4-phenylbutan-2-yl]-3H-1,3-thiazole-5-sulfonamide
MOLECULAR FORMULA: C14H18N2O3S2
MOLECULAR WEIGHT: 326.43432
SMILES: CC1=C(SC(=O)N1)S(=O)(=O)N[C@@H](C)CCC2=CC=CC=C2
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Product OPENEYE NAME: 4-methyl-N-[(1R)-1-methyl-3-phenyl-propyl]-2-oxo-3H-thiazole-5-sulfonamide
CAS Name: 4-methyl-2-oxo-N-[(2R)-4-phenylbutan-2-yl]-3H-thiazole-5-sulfonamide
IUPAC NAME: 4-methyl-2-oxo-N-[(2R)-4-phenylbutan-2-yl]-3H-1,3-thiazole-5-sulfonamide
SYSTEMATIC NAME: 4-methyl-2-oxidanylidene-N-[(2R)-4-phenylbutan-2-yl]-3H-1,3-thiazole-5-sulfonamide
MOLECULAR FORMULA: C14H18N2O3S2
MOLECULAR WEIGHT: 326.43432
SMILES: CC1=C(SC(=O)N1)S(=O)(=O)N[C@H](C)CCC2=CC=CC=C2
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Product OPENEYE NAME: 5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-4-methyl-3H-thiazol-2-one
CAS Name: 5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-4-methyl-3H-thiazol-2-one
IUPAC NAME: 5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
SYSTEMATIC NAME: 5-[4-(4-ethanoylphenyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
MOLECULAR FORMULA: C16H19N3O4S2
MOLECULAR WEIGHT: 381.46976
SMILES: CC1=C(SC(=O)N1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C
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Product OPENEYE NAME: 4-methyl-5-[2-(4-methylphenoxy)ethylsulfamoyl]thiazol-2-olate
CAS Name: 4-methyl-5-[2-(4-methylphenoxy)ethylsulfamoyl]-2-thiazololate
IUPAC NAME: 4-methyl-5-[2-(4-methylphenoxy)ethylsulfamoyl]-1,3-thiazol-2-olate
SYSTEMATIC NAME: 4-methyl-5-[2-(4-methylphenoxy)ethylsulfamoyl]-1,3-thiazol-2-olate
MOLECULAR FORMULA: C13H15N2O4S2-
MOLECULAR WEIGHT: 327.3992
SMILES: CC1=CC=C(C=C1)OCCNS(=O)(=O)C2=C(N=C(S2)[O-])C
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Product OPENEYE NAME: 4-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-3H-thiazole-5-sulfonamide
CAS Name: 4-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-3H-thiazole-5-sulfonamide
IUPAC NAME: 4-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
SYSTEMATIC NAME: 4-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxidanylidene-3H-1,3-thiazole-5-sulfonamide
MOLECULAR FORMULA: C13H16N2O4S2
MOLECULAR WEIGHT: 328.40714
SMILES: CC1=CC=C(C=C1)OCCNS(=O)(=O)C2=C(NC(=O)S2)C
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Product OPENEYE NAME: 5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]-4-methyl-thiazol-2-olate
CAS Name: 5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]-4-methyl-2-thiazololate
IUPAC NAME: 5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]-4-methyl-1,3-thiazol-2-olate
SYSTEMATIC NAME: 5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]-4-methyl-1,3-thiazol-2-olate
MOLECULAR FORMULA: C12H12FN2O3S2-
MOLECULAR WEIGHT: 315.363683
SMILES: CC1=C(SC(=N1)[O-])S(=O)(=O)N[C@H](C)C2=CC=C(C=C2)F
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Product OPENEYE NAME: N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-thiazole-5-sulfonamide
CAS Name: N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-thiazole-5-sulfonamide
IUPAC NAME: N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SYSTEMATIC NAME: N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methyl-2-oxidanylidene-3H-1,3-thiazole-5-sulfonamide
MOLECULAR FORMULA: C12H13FN2O3S2
MOLECULAR WEIGHT: 316.371623
SMILES: CC1=C(SC(=O)N1)S(=O)(=O)N[C@H](C)C2=CC=C(C=C2)F
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Product OPENEYE NAME: 5-[[(1S)-1-(4-fluorophenyl)ethyl]sulfamoyl]-4-methyl-thiazol-2-olate
CAS Name: 5-[[(1S)-1-(4-fluorophenyl)ethyl]sulfamoyl]-4-methyl-2-thiazololate
IUPAC NAME: 5-[[(1S)-1-(4-fluorophenyl)ethyl]sulfamoyl]-4-methyl-1,3-thiazol-2-olate
SYSTEMATIC NAME: 5-[[(1S)-1-(4-fluorophenyl)ethyl]sulfamoyl]-4-methyl-1,3-thiazol-2-olate
MOLECULAR FORMULA: C12H12FN2O3S2-
MOLECULAR WEIGHT: 315.363683
SMILES: CC1=C(SC(=N1)[O-])S(=O)(=O)N[C@@H](C)C2=CC=C(C=C2)F
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Product OPENEYE NAME: N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-thiazole-5-sulfonamide
CAS Name: N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-thiazole-5-sulfonamide
IUPAC NAME: N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SYSTEMATIC NAME: N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methyl-2-oxidanylidene-3H-1,3-thiazole-5-sulfonamide
MOLECULAR FORMULA: C12H13FN2O3S2
MOLECULAR WEIGHT: 316.371623
SMILES: CC1=C(SC(=O)N1)S(=O)(=O)N[C@@H](C)C2=CC=C(C=C2)F
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Product OPENEYE NAME: 2-[(3R)-1-[(3-methyl-8-quinolyl)sulfonyl]-3-piperidyl]-1,3-benzothiazole
CAS Name: 2-[(3R)-1-[(3-methyl-8-quinolinyl)sulfonyl]-3-piperidinyl]-1,3-benzothiazole
IUPAC NAME: 2-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpiperidin-3-yl]-1,3-benzothiazole
SYSTEMATIC NAME: 2-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpiperidin-3-yl]-1,3-benzothiazole
MOLECULAR FORMULA: C22H21N3O2S2
MOLECULAR WEIGHT: 423.55104
SMILES: CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCC[C@H](C3)C4=NC5=CC=CC=C5S4
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Product OPENEYE NAME: 2-[(3S)-1-[(3-methyl-8-quinolyl)sulfonyl]-3-piperidyl]-1,3-benzothiazole
CAS Name: 2-[(3S)-1-[(3-methyl-8-quinolinyl)sulfonyl]-3-piperidinyl]-1,3-benzothiazole
IUPAC NAME: 2-[(3S)-1-(3-methylquinolin-8-yl)sulfonylpiperidin-3-yl]-1,3-benzothiazole
SYSTEMATIC NAME: 2-[(3S)-1-(3-methylquinolin-8-yl)sulfonylpiperidin-3-yl]-1,3-benzothiazole
MOLECULAR FORMULA: C22H21N3O2S2
MOLECULAR WEIGHT: 423.55104
SMILES: CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCC[C@@H](C3)C4=NC5=CC=CC=C5S4
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