Saturday, March 30, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(methylcarbamoyl)acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)acetamide
SYSTEMATIC NAME: N-(methylcarbamoyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C14H21N4O4S+
MOLECULAR WEIGHT: 341.40594
SMILES: CNC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2
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Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-(methylcarbamoyl)acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide
SYSTEMATIC NAME: N-(methylcarbamoyl)-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C14H20N4O4S
MOLECULAR WEIGHT: 340.398
SMILES: CNC(=O)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2
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Product OPENEYE NAME: 4-(2,4-dimethylphenyl)sulfonyl-N-(2-furylmethyl)piperazine-1-carbothioamide
CAS Name: 4-(2,4-dimethylphenyl)sulfonyl-N-(2-furanylmethyl)-1-piperazinecarbothioamide
IUPAC NAME: 4-(2,4-dimethylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide
SYSTEMATIC NAME: 4-(2,4-dimethylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide
MOLECULAR FORMULA: C18H23N3O3S2
MOLECULAR WEIGHT: 393.52352
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC=CO3)C
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Product OPENEYE NAME: N-[(1R)-1-[(2,3-dimethyl-5-sulfamoyl-phenyl)carbamoyl]-2-methyl-propyl]thiophene-2-carboxamide
CAS Name: N-[(2R)-1-(2,3-dimethyl-5-sulfamoylanilino)-3-methyl-1-oxobutan-2-yl]-2-thiophenecarboxamide
IUPAC NAME: N-[(2R)-1-(2,3-dimethyl-5-sulfamoylanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
SYSTEMATIC NAME: N-[(2R)-1-[(2,3-dimethyl-5-sulfamoyl-phenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide
MOLECULAR FORMULA: C18H23N3O4S2
MOLECULAR WEIGHT: 409.52292
SMILES: CC1=CC(=CC(=C1C)NC(=O)[C@@H](C(C)C)NC(=O)C2=CC=CS2)S(=O)(=O)N
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Product OPENEYE NAME: (2S)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CAS Name: (2S)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-N-(1,3,5-trimethyl-4-pyrazolyl)propanamide
IUPAC NAME: (2S)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SYSTEMATIC NAME: (2S)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
MOLECULAR FORMULA: C19H23N5O4S
MOLECULAR WEIGHT: 417.48202
SMILES: CC1=C(C(=NN1C)C)NC(=O)[C@H](C)SC2=NN=C(O2)C3=CC(=C(C=C3)OC)OC
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Product OPENEYE NAME: [(1R)-2-(4-methylanilino)-2-oxo-1-phenyl-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] ester
IUPAC NAME: [(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(1R)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C25H21NO4
MOLECULAR WEIGHT: 399.43854
SMILES: CC1=CC=C(C=C1)NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)C3=CC4=CC=CC=C4OC3
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Product OPENEYE NAME: 1-[3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-4-ethoxy-phenyl]ethanone
CAS Name: 1-[3-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-4-ethoxyphenyl]ethanone
IUPAC NAME: 1-[3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-4-ethoxyphenyl]ethanone
SYSTEMATIC NAME: 1-[4-ethoxy-3-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]phenyl]ethanone
MOLECULAR FORMULA: C21H27N2O4S+
MOLECULAR WEIGHT: 403.51508
SMILES: CCOC1=C(C=C(C=C1)C(=O)C)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 1-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-ethoxy-phenyl]ethanone
CAS Name: 1-[3-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-4-ethoxyphenyl]ethanone
IUPAC NAME: 1-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-ethoxyphenyl]ethanone
SYSTEMATIC NAME: 1-[4-ethoxy-3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]phenyl]ethanone
MOLECULAR FORMULA: C21H26N2O4S
MOLECULAR WEIGHT: 402.50714
SMILES: CCOC1=C(C=C(C=C1)C(=O)C)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: N-cyclopropyl-4-(2,4-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide
CAS Name: N-cyclopropyl-4-(2,4-dimethylphenyl)sulfonyl-1-piperazinecarbothioamide
IUPAC NAME: N-cyclopropyl-4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbothioamide
SYSTEMATIC NAME: N-cyclopropyl-4-(2,4-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide
MOLECULAR FORMULA: C16H23N3O2S2
MOLECULAR WEIGHT: 353.50272
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3CC3)C
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Product OPENEYE NAME: N-[(1S)-1-[(2,3-dimethyl-5-sulfamoyl-phenyl)carbamoyl]-2-methyl-propyl]thiophene-2-carboxamide
CAS Name: N-[(2S)-1-(2,3-dimethyl-5-sulfamoylanilino)-3-methyl-1-oxobutan-2-yl]-2-thiophenecarboxamide
IUPAC NAME: N-[(2S)-1-(2,3-dimethyl-5-sulfamoylanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
SYSTEMATIC NAME: N-[(2S)-1-[(2,3-dimethyl-5-sulfamoyl-phenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide
MOLECULAR FORMULA: C18H23N3O4S2
MOLECULAR WEIGHT: 409.52292
SMILES: CC1=CC(=CC(=C1C)NC(=O)[C@H](C(C)C)NC(=O)C2=CC=CS2)S(=O)(=O)N
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Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(cyclopentylcarbamoyl)acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[(cyclopentylamino)-oxomethyl]acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(cyclopentylcarbamoyl)acetamide
SYSTEMATIC NAME: N-(cyclopentylcarbamoyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C18H27N4O4S+
MOLECULAR WEIGHT: 395.49638
SMILES: C1CCC(C1)NC(=O)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(cyclopentylcarbamoyl)acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-[(cyclopentylamino)-oxomethyl]acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(cyclopentylcarbamoyl)acetamide
SYSTEMATIC NAME: N-(cyclopentylcarbamoyl)-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C18H26N4O4S
MOLECULAR WEIGHT: 394.48844
SMILES: C1CCC(C1)NC(=O)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 4-(2,4-dimethylphenyl)sulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide
CAS Name: 4-(2,4-dimethylphenyl)sulfonyl-N-[3-(methylthio)propyl]-1-piperazinecarbothioamide
IUPAC NAME: 4-(2,4-dimethylphenyl)sulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide
SYSTEMATIC NAME: 4-(2,4-dimethylphenyl)sulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide
MOLECULAR FORMULA: C17H27N3O2S3
MOLECULAR WEIGHT: 401.61018
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCCSC)C
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Product OPENEYE NAME: 3-[2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]oxazolidin-2-one
CAS Name: 3-[2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-oxoethyl]-2-oxazolidinone
IUPAC NAME: 3-[2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3-[2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C15H15N3O6S
MOLECULAR WEIGHT: 365.3611
SMILES: COC1=C(C=C(C=C1)C2=NN=C(O2)SCC(=O)N3CCOC3=O)OC
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Product OPENEYE NAME: [(1S)-2-(4-methylanilino)-2-oxo-1-phenyl-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] ester
IUPAC NAME: [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C25H21NO4
MOLECULAR WEIGHT: 399.43854
SMILES: CC1=CC=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CC4=CC=CC=C4OC3
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Product OPENEYE NAME: ethyl N-[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]carbamate
CAS Name: N-[2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-oxoethyl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]carbamate
SYSTEMATIC NAME: ethyl N-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoyl]carbamate
MOLECULAR FORMULA: C15H22N3O5S+
MOLECULAR WEIGHT: 356.41728
SMILES: CCOC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2
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Product OPENEYE NAME: ethyl N-[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]carbamate
CAS Name: N-[2-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxoethyl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]carbamate
SYSTEMATIC NAME: ethyl N-[2-[4-(phenylsulfonyl)piperazin-1-yl]ethanoyl]carbamate
MOLECULAR FORMULA: C15H21N3O5S
MOLECULAR WEIGHT: 355.40934
SMILES: CCOC(=O)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2
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Product OPENEYE NAME: N-(2,3-dimethyl-5-sulfamoyl-phenyl)-2-(4-isopropylphenoxy)acetamide
CAS Name: N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
IUPAC NAME: N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
SYSTEMATIC NAME: N-(2,3-dimethyl-5-sulfamoyl-phenyl)-2-(4-propan-2-ylphenoxy)ethanamide
MOLECULAR FORMULA: C19H24N2O4S
MOLECULAR WEIGHT: 376.46986
SMILES: CC1=CC(=CC(=C1C)NC(=O)COC2=CC=C(C=C2)C(C)C)S(=O)(=O)N
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Product OPENEYE NAME: methyl 5-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate
CAS Name: 5-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-2-furancarboxylic acid methyl ester
IUPAC NAME: methyl 5-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate
SYSTEMATIC NAME: methyl 5-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate
MOLECULAR FORMULA: C17H21N2O5S+
MOLECULAR WEIGHT: 365.42404
SMILES: COC(=O)C1=CC=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: methyl 5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]furan-2-carboxylate
CAS Name: 5-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-2-furancarboxylic acid methyl ester
IUPAC NAME: methyl 5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]furan-2-carboxylate
SYSTEMATIC NAME: methyl 5-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]furan-2-carboxylate
MOLECULAR FORMULA: C17H20N2O5S
MOLECULAR WEIGHT: 364.4161
SMILES: COC(=O)C1=CC=C(O1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-N-(2,3-dimethyl-5-sulfamoyl-phenyl)prop-2-enamide
CAS Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-propenamide
IUPAC NAME: (E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-N-(2,3-dimethyl-5-sulfamoyl-phenyl)prop-2-enamide
MOLECULAR FORMULA: C20H25N3O3S
MOLECULAR WEIGHT: 387.4958
SMILES: CC1=CC(=CC(=C1C)NC(=O)/C=C/C2=C(N(C(=C2)C)C3CC3)C)S(=O)(=O)N
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Product OPENEYE NAME: (2-nitrophenyl)methyl 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid (2-nitrophenyl)methyl ester
IUPAC NAME: (2-nitrophenyl)methyl 2H-chromene-3-carboxylate
SYSTEMATIC NAME: (2-nitrophenyl)methyl 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C17H13NO5
MOLECULAR WEIGHT: 311.28882
SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)OCC3=CC=CC=C3[N+](=O)[O-]
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