Saturday, March 30, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N-(2,3-dimethyl-5-sulfamoyl-phenyl)-3-(2-ethoxyphenyl)propanamide
CAS Name: N-(2,3-dimethyl-5-sulfamoylphenyl)-3-(2-ethoxyphenyl)propanamide
IUPAC NAME: N-(2,3-dimethyl-5-sulfamoylphenyl)-3-(2-ethoxyphenyl)propanamide
SYSTEMATIC NAME: N-(2,3-dimethyl-5-sulfamoyl-phenyl)-3-(2-ethoxyphenyl)propanamide
MOLECULAR FORMULA: C19H24N2O4S
MOLECULAR WEIGHT: 376.46986
SMILES: CCOC1=CC=CC=C1CCC(=O)NC2=C(C(=CC(=C2)S(=O)(=O)N)C)C
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Product OPENEYE NAME: N-[2-(p-tolylmethylsulfanyl)ethyl]-3-(p-tolylsulfonyl)propanamide
CAS Name: N-[2-[(4-methylphenyl)methylthio]ethyl]-3-(4-methylphenyl)sulfonylpropanamide
IUPAC NAME: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3-(4-methylphenyl)sulfonylpropanamide
SYSTEMATIC NAME: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3-(4-methylphenyl)sulfonyl-propanamide
MOLECULAR FORMULA: C20H25NO3S2
MOLECULAR WEIGHT: 391.5474
SMILES: CC1=CC=C(C=C1)CSCCNC(=O)CCS(=O)(=O)C2=CC=C(C=C2)C
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Product OPENEYE NAME: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(cyclohexylcarbamoyl)propanamide
CAS Name: (2S)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[(cyclohexylamino)-oxomethyl]propanamide
IUPAC NAME: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(cyclohexylcarbamoyl)propanamide
SYSTEMATIC NAME: (2S)-N-(cyclohexylcarbamoyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide
MOLECULAR FORMULA: C20H31N4O4S+
MOLECULAR WEIGHT: 423.54954
SMILES: C[C@@H](C(=O)NC(=O)NC1CCCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: (2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide
CAS Name: (2S)-2-[4-(benzenesulfonyl)-1-piperazinyl]-N-[(cyclohexylamino)-oxomethyl]propanamide
IUPAC NAME: (2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide
SYSTEMATIC NAME: (2S)-N-(cyclohexylcarbamoyl)-2-[4-(phenylsulfonyl)piperazin-1-yl]propanamide
MOLECULAR FORMULA: C20H30N4O4S
MOLECULAR WEIGHT: 422.5416
SMILES: C[C@@H](C(=O)NC(=O)NC1CCCCC1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: [2-[2-(furan-2-carbonyl)hydrazino]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[[2-furanyl(oxo)methyl]hydrazo]-2-oxoethyl] ester
IUPAC NAME: [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[2-(furan-2-ylcarbonyl)hydrazinyl]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C17H14N2O6
MOLECULAR WEIGHT: 342.30286
SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)NNC(=O)C3=CC=CO3
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Product OPENEYE NAME: N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-methyl-4-oxo-phthalazin-1-yl)acetamide
CAS Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-methyl-4-oxo-1-phthalazinyl)acetamide
IUPAC NAME: N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SYSTEMATIC NAME: N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanamide
MOLECULAR FORMULA: C23H27N3O3
MOLECULAR WEIGHT: 393.47878
SMILES: CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)CC2=NN(C(=O)C3=CC=CC=C32)C
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 4-(4-chloro-3-methyl-phenoxy)butanoate
CAS Name: 4-(4-chloro-3-methylphenoxy)butanoic acid [(2R)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 4-(4-chloro-3-methylphenoxy)butanoate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 4-(4-chloranyl-3-methyl-phenoxy)butanoate
MOLECULAR FORMULA: C20H26ClN3O4
MOLECULAR WEIGHT: 407.89114
SMILES: CC1=C(C=CC(=C1)OCCCC(=O)O[C@H](C)C(=O)NC2=C(N(N=C2C)C)C)Cl
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Product OPENEYE NAME: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(cyclohexylcarbamoyl)propanamide
CAS Name: (2R)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[(cyclohexylamino)-oxomethyl]propanamide
IUPAC NAME: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(cyclohexylcarbamoyl)propanamide
SYSTEMATIC NAME: (2R)-N-(cyclohexylcarbamoyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide
MOLECULAR FORMULA: C20H31N4O4S+
MOLECULAR WEIGHT: 423.54954
SMILES: C[C@H](C(=O)NC(=O)NC1CCCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: (2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide
CAS Name: (2R)-2-[4-(benzenesulfonyl)-1-piperazinyl]-N-[(cyclohexylamino)-oxomethyl]propanamide
IUPAC NAME: (2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide
SYSTEMATIC NAME: (2R)-N-(cyclohexylcarbamoyl)-2-[4-(phenylsulfonyl)piperazin-1-yl]propanamide
MOLECULAR FORMULA: C20H30N4O4S
MOLECULAR WEIGHT: 422.5416
SMILES: C[C@H](C(=O)NC(=O)NC1CCCCC1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 1-(benzenesulfonyl)-4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium
CAS Name: 1-(benzenesulfonyl)-4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium
IUPAC NAME: 1-(benzenesulfonyl)-4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium
SYSTEMATIC NAME: 1-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-(phenylsulfonyl)piperazin-1-ium
MOLECULAR FORMULA: C19H22ClN2O4S+
MOLECULAR WEIGHT: 409.90698
SMILES: C1CN(CC[NH+]1CC2=C3C(=CC(=C2)Cl)COCO3)S(=O)(=O)C4=CC=CC=C4
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Product OPENEYE NAME: 1-(benzenesulfonyl)-4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazine
CAS Name: 1-(benzenesulfonyl)-4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazine
IUPAC NAME: 1-(benzenesulfonyl)-4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazine
SYSTEMATIC NAME: 1-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-(phenylsulfonyl)piperazine
MOLECULAR FORMULA: C19H21ClN2O4S
MOLECULAR WEIGHT: 408.89904
SMILES: C1CN(CCN1CC2=C3C(=CC(=C2)Cl)COCO3)S(=O)(=O)C4=CC=CC=C4
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Product OPENEYE NAME: 4-chloro-N-[(1R)-1-[(2,4-dimethylphenyl)carbamoyl]-3-methyl-butyl]benzamide
CAS Name: 4-chloro-N-[(2R)-1-(2,4-dimethylanilino)-4-methyl-1-oxopentan-2-yl]benzamide
IUPAC NAME: 4-chloro-N-[(2R)-1-(2,4-dimethylanilino)-4-methyl-1-oxopentan-2-yl]benzamide
SYSTEMATIC NAME: 4-chloranyl-N-[(2R)-1-[(2,4-dimethylphenyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]benzamide
MOLECULAR FORMULA: C21H25ClN2O2
MOLECULAR WEIGHT: 372.8884
SMILES: CC1=CC(=C(C=C1)NC(=O)[C@@H](CC(C)C)NC(=O)C2=CC=C(C=C2)Cl)C
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Product OPENEYE NAME: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]propanamide
CAS Name: (2S)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]propanamide
IUPAC NAME: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]propanamide
SYSTEMATIC NAME: (2S)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide
MOLECULAR FORMULA: C13H20N3O3S+
MOLECULAR WEIGHT: 298.3812
SMILES: C[C@@H](C(=O)N)[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2
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Product OPENEYE NAME: (2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]propanamide
CAS Name: (2S)-2-[4-(benzenesulfonyl)-1-piperazinyl]propanamide
IUPAC NAME: (2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]propanamide
SYSTEMATIC NAME: (2S)-2-[4-(phenylsulfonyl)piperazin-1-yl]propanamide
MOLECULAR FORMULA: C13H19N3O3S
MOLECULAR WEIGHT: 297.37326
SMILES: C[C@@H](C(=O)N)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2
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Product OPENEYE NAME: [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl ester
IUPAC NAME: [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C19H13ClN2O4
MOLECULAR WEIGHT: 368.77052
SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)OCC3=NN=C(O3)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: N-[2-(4-tert-butylphenoxy)ethyl]-2-fluoro-4-methoxy-benzamide
CAS Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-fluoro-4-methoxybenzamide
IUPAC NAME: N-[2-(4-tert-butylphenoxy)ethyl]-2-fluoro-4-methoxybenzamide
SYSTEMATIC NAME: N-[2-(4-tert-butylphenoxy)ethyl]-2-fluoranyl-4-methoxy-benzamide
MOLECULAR FORMULA: C20H24FNO3
MOLECULAR WEIGHT: 345.407863
SMILES: CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)C2=C(C=C(C=C2)OC)F
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Product OPENEYE NAME: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]propanamide
CAS Name: (2R)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]propanamide
IUPAC NAME: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]propanamide
SYSTEMATIC NAME: (2R)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide
MOLECULAR FORMULA: C13H20N3O3S+
MOLECULAR WEIGHT: 298.3812
SMILES: C[C@H](C(=O)N)[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2
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Product OPENEYE NAME: (2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]propanamide
CAS Name: (2R)-2-[4-(benzenesulfonyl)-1-piperazinyl]propanamide
IUPAC NAME: (2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]propanamide
SYSTEMATIC NAME: (2R)-2-[4-(phenylsulfonyl)piperazin-1-yl]propanamide
MOLECULAR FORMULA: C13H19N3O3S
MOLECULAR WEIGHT: 297.37326
SMILES: C[C@H](C(=O)N)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2
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Product OPENEYE NAME: [5-(2-furyl)-1,3,4-oxadiazol-2-yl]methyl 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [5-(2-furanyl)-1,3,4-oxadiazol-2-yl]methyl ester
IUPAC NAME: [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C17H12N2O5
MOLECULAR WEIGHT: 324.28758
SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)OCC3=NN=C(O3)C4=CC=CO4
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