Saturday, March 30, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CAS Name: 2-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-5-phenyl-1,3,4-oxadiazole
IUPAC NAME: 2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-phenyl-5-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole
MOLECULAR FORMULA: C19H21N4O3S+
MOLECULAR WEIGHT: 385.46004
SMILES: C1CN(CC[NH+]1CC2=NN=C(O2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4
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Product OPENEYE NAME: 3-[2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]oxazolidin-2-one
CAS Name: 3-[2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]-1-oxoethyl]-2-oxazolidinone
IUPAC NAME: 3-[2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3-[2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C14H11N3O6S
MOLECULAR WEIGHT: 349.31864
SMILES: C1COC(=O)N1C(=O)CSC2=NN=C(O2)C3=CC4=C(C=C3)OCO4
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Product OPENEYE NAME: 1-(benzenesulfonyl)-4-[[(2S)-tetrahydropyran-2-yl]methyl]piperazin-4-ium
CAS Name: 1-(benzenesulfonyl)-4-[[(2S)-2-oxanyl]methyl]piperazin-4-ium
IUPAC NAME: 1-(benzenesulfonyl)-4-[[(2S)-oxan-2-yl]methyl]piperazin-4-ium
SYSTEMATIC NAME: 1-[[(2S)-oxan-2-yl]methyl]-4-(phenylsulfonyl)piperazin-1-ium
MOLECULAR FORMULA: C16H25N2O3S+
MOLECULAR WEIGHT: 325.4463
SMILES: C1CCO[C@@H](C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 1-(benzenesulfonyl)-4-[[(2S)-tetrahydropyran-2-yl]methyl]piperazine
CAS Name: 1-(benzenesulfonyl)-4-[[(2S)-2-oxanyl]methyl]piperazine
IUPAC NAME: 1-(benzenesulfonyl)-4-[[(2S)-oxan-2-yl]methyl]piperazine
SYSTEMATIC NAME: 1-[[(2S)-oxan-2-yl]methyl]-4-(phenylsulfonyl)piperazine
MOLECULAR FORMULA: C16H24N2O3S
MOLECULAR WEIGHT: 324.43836
SMILES: C1CCO[C@@H](C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 3-fluoro-4-methoxy-N-(4-methyl-3-sulfamoyl-phenyl)benzamide
CAS Name: 3-fluoro-4-methoxy-N-(4-methyl-3-sulfamoylphenyl)benzamide
IUPAC NAME: 3-fluoro-4-methoxy-N-(4-methyl-3-sulfamoylphenyl)benzamide
SYSTEMATIC NAME: 3-fluoranyl-4-methoxy-N-(4-methyl-3-sulfamoyl-phenyl)benzamide
MOLECULAR FORMULA: C15H15FN2O4S
MOLECULAR WEIGHT: 338.354003
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)OC)F)S(=O)(=O)N
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Product OPENEYE NAME: [2-oxo-2-(2-thienylmethylamino)ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester
IUPAC NAME: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C17H15NO4S
MOLECULAR WEIGHT: 329.3703
SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)NCC3=CC=CS3
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Product OPENEYE NAME: 4-(2,4-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide
CAS Name: 4-(2,4-dimethylphenyl)sulfonyl-N-[2-(4-morpholin-4-iumyl)ethyl]-1-piperazinecarbothioamide
IUPAC NAME: 4-(2,4-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide
SYSTEMATIC NAME: 4-(2,4-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide
MOLECULAR FORMULA: C19H31N4O3S2+
MOLECULAR WEIGHT: 427.60444
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC[NH+]3CCOCC3)C
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Product OPENEYE NAME: 4-(2,4-dimethylphenyl)sulfonyl-N-(2-morpholinoethyl)piperazine-1-carbothioamide
CAS Name: 4-(2,4-dimethylphenyl)sulfonyl-N-[2-(4-morpholinyl)ethyl]-1-piperazinecarbothioamide
IUPAC NAME: 4-(2,4-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide
SYSTEMATIC NAME: 4-(2,4-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide
MOLECULAR FORMULA: C19H30N4O3S2
MOLECULAR WEIGHT: 426.5965
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCN3CCOCC3)C
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Product OPENEYE NAME: 3-(2-ethoxyphenyl)-N-(4-methyl-3-sulfamoyl-phenyl)propanamide
CAS Name: 3-(2-ethoxyphenyl)-N-(4-methyl-3-sulfamoylphenyl)propanamide
IUPAC NAME: 3-(2-ethoxyphenyl)-N-(4-methyl-3-sulfamoylphenyl)propanamide
SYSTEMATIC NAME: 3-(2-ethoxyphenyl)-N-(4-methyl-3-sulfamoyl-phenyl)propanamide
MOLECULAR FORMULA: C18H22N2O4S
MOLECULAR WEIGHT: 362.44328
SMILES: CCOC1=CC=CC=C1CCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N
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Product OPENEYE NAME: 1-(benzenesulfonyl)-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperazin-4-ium
CAS Name: 1-(benzenesulfonyl)-4-[[(2R)-2-oxanyl]methyl]piperazin-4-ium
IUPAC NAME: 1-(benzenesulfonyl)-4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium
SYSTEMATIC NAME: 1-[[(2R)-oxan-2-yl]methyl]-4-(phenylsulfonyl)piperazin-1-ium
MOLECULAR FORMULA: C16H25N2O3S+
MOLECULAR WEIGHT: 325.4463
SMILES: C1CCO[C@H](C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 1-(benzenesulfonyl)-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperazine
CAS Name: 1-(benzenesulfonyl)-4-[[(2R)-2-oxanyl]methyl]piperazine
IUPAC NAME: 1-(benzenesulfonyl)-4-[[(2R)-oxan-2-yl]methyl]piperazine
SYSTEMATIC NAME: 1-[[(2R)-oxan-2-yl]methyl]-4-(phenylsulfonyl)piperazine
MOLECULAR FORMULA: C16H24N2O3S
MOLECULAR WEIGHT: 324.43836
SMILES: C1CCO[C@H](C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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