Saturday, March 30, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N-butyl-4-(2,4-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide
CAS Name: N-butyl-4-(2,4-dimethylphenyl)sulfonyl-1-piperazinecarbothioamide
IUPAC NAME: N-butyl-4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbothioamide
SYSTEMATIC NAME: N-butyl-4-(2,4-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide
MOLECULAR FORMULA: C17H27N3O2S2
MOLECULAR WEIGHT: 369.54518
SMILES: CCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)C)C
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Product OPENEYE NAME: 4-(1,3-dithian-2-yl)-N-(4-methyl-3-sulfamoyl-phenyl)benzamide
CAS Name: 4-(1,3-dithian-2-yl)-N-(4-methyl-3-sulfamoylphenyl)benzamide
IUPAC NAME: 4-(1,3-dithian-2-yl)-N-(4-methyl-3-sulfamoylphenyl)benzamide
SYSTEMATIC NAME: 4-(1,3-dithian-2-yl)-N-(4-methyl-3-sulfamoyl-phenyl)benzamide
MOLECULAR FORMULA: C18H20N2O3S3
MOLECULAR WEIGHT: 408.558
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C3SCCCS3)S(=O)(=O)N
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Product OPENEYE NAME: 1-(benzenesulfonyl)-4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium
CAS Name: 1-(benzenesulfonyl)-4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium
IUPAC NAME: 1-(benzenesulfonyl)-4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium
SYSTEMATIC NAME: 1-[2-(2-methylphenoxy)ethyl]-4-(phenylsulfonyl)piperazin-1-ium
MOLECULAR FORMULA: C19H25N2O3S+
MOLECULAR WEIGHT: 361.4784
SMILES: CC1=CC=CC=C1OCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 1-(benzenesulfonyl)-4-[2-(2-methylphenoxy)ethyl]piperazine
CAS Name: 1-(benzenesulfonyl)-4-[2-(2-methylphenoxy)ethyl]piperazine
IUPAC NAME: 1-(benzenesulfonyl)-4-[2-(2-methylphenoxy)ethyl]piperazine
SYSTEMATIC NAME: 1-[2-(2-methylphenoxy)ethyl]-4-(phenylsulfonyl)piperazine
MOLECULAR FORMULA: C19H24N2O3S
MOLECULAR WEIGHT: 360.47046
SMILES: CC1=CC=CC=C1OCCN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 4-(2,4-dimethylphenyl)sulfonyl-N-ethyl-piperazine-1-carbothioamide
CAS Name: 4-(2,4-dimethylphenyl)sulfonyl-N-ethyl-1-piperazinecarbothioamide
IUPAC NAME: 4-(2,4-dimethylphenyl)sulfonyl-N-ethylpiperazine-1-carbothioamide
SYSTEMATIC NAME: 4-(2,4-dimethylphenyl)sulfonyl-N-ethyl-piperazine-1-carbothioamide
MOLECULAR FORMULA: C15H23N3O2S2
MOLECULAR WEIGHT: 341.49202
SMILES: CCNC(=S)N1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)C)C
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Product OPENEYE NAME: 2-(4-isopropylphenoxy)-N-(4-methyl-3-sulfamoyl-phenyl)acetamide
CAS Name: N-(4-methyl-3-sulfamoylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
IUPAC NAME: N-(4-methyl-3-sulfamoylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
SYSTEMATIC NAME: N-(4-methyl-3-sulfamoyl-phenyl)-2-(4-propan-2-ylphenoxy)ethanamide
MOLECULAR FORMULA: C18H22N2O4S
MOLECULAR WEIGHT: 362.44328
SMILES: CC1=C(C=C(C=C1)NC(=O)COC2=CC=C(C=C2)C(C)C)S(=O)(=O)N
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Product OPENEYE NAME: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-oxo-2-[4-(1-oxopropylamino)phenyl]ethyl] ester
IUPAC NAME: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C21H19NO5
MOLECULAR WEIGHT: 365.37926
SMILES: CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: 4-(2,4-dimethylphenyl)sulfonyl-N-(4-fluorophenyl)piperazine-1-carbothioamide
CAS Name: 4-(2,4-dimethylphenyl)sulfonyl-N-(4-fluorophenyl)-1-piperazinecarbothioamide
IUPAC NAME: 4-(2,4-dimethylphenyl)sulfonyl-N-(4-fluorophenyl)piperazine-1-carbothioamide
SYSTEMATIC NAME: 4-(2,4-dimethylphenyl)sulfonyl-N-(4-fluorophenyl)piperazine-1-carbothioamide
MOLECULAR FORMULA: C19H22FN3O2S2
MOLECULAR WEIGHT: 407.525283
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)F)C
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Product OPENEYE NAME: 1-(benzenesulfonyl)-4-[2-(4-fluorophenoxy)ethyl]piperazin-4-ium
CAS Name: 1-(benzenesulfonyl)-4-[2-(4-fluorophenoxy)ethyl]piperazin-4-ium
IUPAC NAME: 1-(benzenesulfonyl)-4-[2-(4-fluorophenoxy)ethyl]piperazin-4-ium
SYSTEMATIC NAME: 1-[2-(4-fluoranylphenoxy)ethyl]-4-(phenylsulfonyl)piperazin-1-ium
MOLECULAR FORMULA: C18H22FN2O3S+
MOLECULAR WEIGHT: 365.442283
SMILES: C1CN(CC[NH+]1CCOC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 1-(benzenesulfonyl)-4-[2-(4-fluorophenoxy)ethyl]piperazine
CAS Name: 1-(benzenesulfonyl)-4-[2-(4-fluorophenoxy)ethyl]piperazine
IUPAC NAME: 1-(benzenesulfonyl)-4-[2-(4-fluorophenoxy)ethyl]piperazine
SYSTEMATIC NAME: 1-[2-(4-fluoranylphenoxy)ethyl]-4-(phenylsulfonyl)piperazine
MOLECULAR FORMULA: C18H21FN2O3S
MOLECULAR WEIGHT: 364.434343
SMILES: C1CN(CCN1CCOC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CAS Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]-1-propanone
IUPAC NAME: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
SYSTEMATIC NAME: (2S)-2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)propan-1-one
MOLECULAR FORMULA: C20H19N3O5S
MOLECULAR WEIGHT: 413.44696
SMILES: CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)SC2=NN=C(O2)C3=CC4=C(C=C3)OCO4
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Product OPENEYE NAME: 4-(6,8-dioxo-7,9-diazaspiro[4.4]nonan-7-yl)-N-(4-methyl-3-sulfamoyl-phenyl)butanamide
CAS Name: 4-(6,8-dioxo-7,9-diazaspiro[4.4]nonan-7-yl)-N-(4-methyl-3-sulfamoylphenyl)butanamide
IUPAC NAME: 4-(6,8-dioxo-7,9-diazaspiro[4.4]nonan-7-yl)-N-(4-methyl-3-sulfamoylphenyl)butanamide
SYSTEMATIC NAME: 4-[6,8-bis(oxidanylidene)-7,9-diazaspiro[4.4]nonan-7-yl]-N-(4-methyl-3-sulfamoyl-phenyl)butanamide
MOLECULAR FORMULA: C18H24N4O5S
MOLECULAR WEIGHT: 408.47196
SMILES: CC1=C(C=C(C=C1)NC(=O)CCCN2C(=O)C3(CCCC3)NC2=O)S(=O)(=O)N
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Product OPENEYE NAME: N-benzyl-4-(2,4-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide
CAS Name: 4-(2,4-dimethylphenyl)sulfonyl-N-(phenylmethyl)-1-piperazinecarbothioamide
IUPAC NAME: N-benzyl-4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbothioamide
SYSTEMATIC NAME: 4-(2,4-dimethylphenyl)sulfonyl-N-(phenylmethyl)piperazine-1-carbothioamide
MOLECULAR FORMULA: C20H25N3O2S2
MOLECULAR WEIGHT: 403.5614
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC=CC=C3)C
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Product OPENEYE NAME: 1-(benzenesulfonyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium
CAS Name: 1-(benzenesulfonyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium
IUPAC NAME: 1-(benzenesulfonyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium
SYSTEMATIC NAME: 1-[2-(4-methoxyphenoxy)ethyl]-4-(phenylsulfonyl)piperazin-1-ium
MOLECULAR FORMULA: C19H25N2O4S+
MOLECULAR WEIGHT: 377.4778
SMILES: COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 1-(benzenesulfonyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine
CAS Name: 1-(benzenesulfonyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine
IUPAC NAME: 1-(benzenesulfonyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine
SYSTEMATIC NAME: 1-[2-(4-methoxyphenoxy)ethyl]-4-(phenylsulfonyl)piperazine
MOLECULAR FORMULA: C19H24N2O4S
MOLECULAR WEIGHT: 376.46986
SMILES: COC1=CC=C(C=C1)OCCN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: N-(4-methyl-3-sulfamoyl-phenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CAS Name: N-(4-methyl-3-sulfamoylphenyl)-1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxamide
IUPAC NAME: N-(4-methyl-3-sulfamoylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SYSTEMATIC NAME: N-(4-methyl-3-sulfamoyl-phenyl)-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide
MOLECULAR FORMULA: C18H21N3O4S2
MOLECULAR WEIGHT: 407.50704
SMILES: CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CS3)S(=O)(=O)N
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Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(isopropylcarbamoyl)acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[oxo-(propan-2-ylamino)methyl]acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
SYSTEMATIC NAME: 2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)ethanamide
MOLECULAR FORMULA: C16H25N4O4S+
MOLECULAR WEIGHT: 369.4591
SMILES: CC(C)NC(=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-(isopropylcarbamoyl)acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-[oxo-(propan-2-ylamino)methyl]acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
SYSTEMATIC NAME: 2-[4-(phenylsulfonyl)piperazin-1-yl]-N-(propan-2-ylcarbamoyl)ethanamide
MOLECULAR FORMULA: C16H24N4O4S
MOLECULAR WEIGHT: 368.45116
SMILES: CC(C)NC(=O)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2
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Product OPENEYE NAME: [2-[[4-(2-methoxy-2-oxo-ethyl)thiazol-2-yl]amino]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[[4-(2-methoxy-2-oxoethyl)-2-thiazolyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[[4-(2-methoxy-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C18H16N2O6S
MOLECULAR WEIGHT: 388.39444
SMILES: COC(=O)CC1=CSC(=N1)NC(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: 4-(2,4-dimethylphenyl)sulfonyl-N-(2-phenylethyl)piperazine-1-carbothioamide
CAS Name: 4-(2,4-dimethylphenyl)sulfonyl-N-(2-phenylethyl)-1-piperazinecarbothioamide
IUPAC NAME: 4-(2,4-dimethylphenyl)sulfonyl-N-(2-phenylethyl)piperazine-1-carbothioamide
SYSTEMATIC NAME: 4-(2,4-dimethylphenyl)sulfonyl-N-(2-phenylethyl)piperazine-1-carbothioamide
MOLECULAR FORMULA: C21H27N3O2S2
MOLECULAR WEIGHT: 417.58798
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCC3=CC=CC=C3)C
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Product OPENEYE NAME: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-N-(4-methyl-3-sulfamoyl-phenyl)prop-2-enamide
CAS Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-N-(4-methyl-3-sulfamoylphenyl)-2-propenamide
IUPAC NAME: (E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-N-(4-methyl-3-sulfamoyl-phenyl)prop-2-enamide
MOLECULAR FORMULA: C19H23N3O3S
MOLECULAR WEIGHT: 373.46922
SMILES: CC1=C(C=C(C=C1)NC(=O)/C=C/C2=C(N(C(=C2)C)C3CC3)C)S(=O)(=O)N
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