Thursday, November 1, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-pentylphenyl)sulfonyl-piperazine
CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-pentylphenyl)sulfonylpiperazine
IUPAC NAME: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-pentylphenyl)sulfonylpiperazine
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-pentylphenyl)sulfonyl-piperazine
MOLECULAR FORMULA: C23H30N2O4S
MOLECULAR WEIGHT: 430.5603
SMILES: CCCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4
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Product OPENEYE NAME: methyl 4-[4-[2-cyanoethyl(2-furylmethyl)sulfamoyl]phenyl]-5-(trifluoromethyl)thiophene-2-carboxylate
CAS Name: 4-[4-[2-cyanoethyl(2-furanylmethyl)sulfamoyl]phenyl]-5-(trifluoromethyl)-2-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 4-[4-[2-cyanoethyl(furan-2-ylmethyl)sulfamoyl]phenyl]-5-(trifluoromethyl)thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 4-[4-[2-cyanoethyl(furan-2-ylmethyl)sulfamoyl]phenyl]-5-(trifluoromethyl)thiophene-2-carboxylate
MOLECULAR FORMULA: C21H17F3N2O5S2
MOLECULAR WEIGHT: 498.49529
SMILES: COC(=O)C1=CC(=C(S1)C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)N(CCC#N)CC3=CC=CO3
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Product OPENEYE NAME: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-ethylphenyl)sulfonyl-piperazine
CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-ethylphenyl)sulfonylpiperazine
IUPAC NAME: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-ethylphenyl)sulfonylpiperazine
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-ethylphenyl)sulfonyl-piperazine
MOLECULAR FORMULA: C20H24N2O4S
MOLECULAR WEIGHT: 388.48056
SMILES: CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4
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Product OPENEYE NAME: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-propylphenyl)sulfonyl-piperazine
CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-propylphenyl)sulfonylpiperazine
IUPAC NAME: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-propylphenyl)sulfonylpiperazine
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-propylphenyl)sulfonyl-piperazine
MOLECULAR FORMULA: C21H26N2O4S
MOLECULAR WEIGHT: 402.50714
SMILES: CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4
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Product OPENEYE NAME: 2-(2,3-dihydrobenzofuran-5-yl)-N-(1,1-dioxothiolan-3-yl)-4-methyl-thiazole-5-carboxamide
CAS Name: 2-(2,3-dihydrobenzofuran-5-yl)-N-(1,1-dioxo-3-thiolanyl)-4-methyl-5-thiazolecarboxamide
IUPAC NAME: 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
SYSTEMATIC NAME: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carboxamide
MOLECULAR FORMULA: C17H18N2O4S2
MOLECULAR WEIGHT: 378.46582
SMILES: CC1=C(SC(=N1)C2=CC3=C(C=C2)OCC3)C(=O)NC4CCS(=O)(=O)C4
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Product OPENEYE NAME: N-(1,1-dioxothiolan-3-yl)-5-(2-pyridyl)thiophene-2-carboxamide
CAS Name: N-(1,1-dioxo-3-thiolanyl)-5-(2-pyridinyl)-2-thiophenecarboxamide
IUPAC NAME: N-(1,1-dioxothiolan-3-yl)-5-pyridin-2-ylthiophene-2-carboxamide
SYSTEMATIC NAME: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-pyridin-2-yl-thiophene-2-carboxamide
MOLECULAR FORMULA: C14H14N2O3S2
MOLECULAR WEIGHT: 322.40256
SMILES: C1CS(=O)(=O)CC1NC(=O)C2=CC=C(S2)C3=CC=CC=N3
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Product OPENEYE NAME: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-phenyl-acetamide
CAS Name: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-N-phenylacetamide
IUPAC NAME: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-phenylacetamide
SYSTEMATIC NAME: 2-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-phenyl-ethanamide
MOLECULAR FORMULA: C19H19ClN4OS
MOLECULAR WEIGHT: 386.89836
SMILES: C1CN(CCN1CC(=O)NC2=CC=CC=C2)C3=NC4=C(S3)C=CC(=C4)Cl
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Product OPENEYE NAME: 5-chloro-2-[4-(2,3-dihydrobenzofuran-5-ylsulfonyl)piperazin-1-yl]-1,3-benzothiazole
CAS Name: 5-chloro-2-[4-(2,3-dihydrobenzofuran-5-ylsulfonyl)-1-piperazinyl]-1,3-benzothiazole
IUPAC NAME: 5-chloro-2-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-1,3-benzothiazole
SYSTEMATIC NAME: 5-chloranyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-1,3-benzothiazole
MOLECULAR FORMULA: C19H18ClN3O3S2
MOLECULAR WEIGHT: 435.94752
SMILES: C1COC2=C1C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=NC5=C(S4)C=CC(=C5)Cl
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Product OPENEYE NAME: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-cyclohexyl-N-phenyl-acetamide
CAS Name: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-N-cyclohexyl-N-phenylacetamide
IUPAC NAME: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-cyclohexyl-N-phenylacetamide
SYSTEMATIC NAME: 2-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-cyclohexyl-N-phenyl-ethanamide
MOLECULAR FORMULA: C25H29ClN4OS
MOLECULAR WEIGHT: 469.04196
SMILES: C1CCC(CC1)N(C2=CC=CC=C2)C(=O)CN3CCN(CC3)C4=NC5=C(S4)C=CC(=C5)Cl
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Product OPENEYE NAME: N-(4-acetylphenyl)-2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]acetamide
CAS Name: N-(4-acetylphenyl)-2-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]acetamide
IUPAC NAME: N-(4-acetylphenyl)-2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]acetamide
SYSTEMATIC NAME: 2-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(4-ethanoylphenyl)ethanamide
MOLECULAR FORMULA: C21H21ClN4O2S
MOLECULAR WEIGHT: 428.93504
SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=NC4=C(S3)C=CC(=C4)Cl
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Product OPENEYE NAME: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(4-cyclohexylphenyl)acetamide
CAS Name: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-N-(4-cyclohexylphenyl)acetamide
IUPAC NAME: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(4-cyclohexylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(4-cyclohexylphenyl)ethanamide
MOLECULAR FORMULA: C25H29ClN4OS
MOLECULAR WEIGHT: 469.04196
SMILES: C1CCC(CC1)C2=CC=C(C=C2)NC(=O)CN3CCN(CC3)C4=NC5=C(S4)C=CC(=C5)Cl
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Product OPENEYE NAME: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CAS Name: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
IUPAC NAME: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SYSTEMATIC NAME: 2-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide
MOLECULAR FORMULA: C20H18ClF3N4O2S
MOLECULAR WEIGHT: 470.89573
SMILES: C1CN(CCN1CC(=O)NC2=CC=C(C=C2)OC(F)(F)F)C3=NC4=C(S3)C=CC(=C4)Cl
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Product OPENEYE NAME: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-[2-(2,4-dichlorophenoxy)phenyl]acetamide
CAS Name: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-N-[2-(2,4-dichlorophenoxy)phenyl]acetamide
IUPAC NAME: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-[2-(2,4-dichlorophenoxy)phenyl]acetamide
SYSTEMATIC NAME: N-[2-[2,4-bis(chloranyl)phenoxy]phenyl]-2-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C25H21Cl3N4O2S
MOLECULAR WEIGHT: 547.88384
SMILES: C1CN(CCN1CC(=O)NC2=CC=CC=C2OC3=C(C=C(C=C3)Cl)Cl)C4=NC5=C(S4)C=CC(=C5)Cl
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Product OPENEYE NAME: (2S)-2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CAS Name: (2S)-2-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-[4-(2-methoxyphenyl)-1-piperazinyl]-1-propanone
IUPAC NAME: (2S)-2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
SYSTEMATIC NAME: (2S)-2-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
MOLECULAR FORMULA: C25H30ClN5O2S
MOLECULAR WEIGHT: 500.056
SMILES: C[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2OC)N3CCN(CC3)C4=NC5=C(S4)C=CC(=C5)Cl
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Product OPENEYE NAME: 5-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3,3-dimethyl-5-oxo-pentanoic acid
CAS Name: 5-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-3,3-dimethyl-5-oxopentanoic acid
IUPAC NAME: 5-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
SYSTEMATIC NAME: 5-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3,3-dimethyl-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C18H22ClN3O3S
MOLECULAR WEIGHT: 395.90358
SMILES: CC(C)(CC(=O)N1CCN(CC1)C2=NC3=C(S2)C=CC(=C3)Cl)CC(=O)O
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Product OPENEYE NAME: 2-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxo-ethyl]sulfanylacetic acid
CAS Name: 2-[[2-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-oxoethyl]thio]acetic acid
IUPAC NAME: 2-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid
SYSTEMATIC NAME: 2-[2-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoic acid
MOLECULAR FORMULA: C15H16ClN3O3S2
MOLECULAR WEIGHT: 385.88884
SMILES: C1CN(CCN1C2=NC3=C(S2)C=CC(=C3)Cl)C(=O)CSCC(=O)O
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Product OPENEYE NAME: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-1-phenyl-ethanone
CAS Name: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-phenylethanone
IUPAC NAME: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-1-phenylethanone
SYSTEMATIC NAME: 2-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1-phenyl-ethanone
MOLECULAR FORMULA: C19H18ClN3OS
MOLECULAR WEIGHT: 371.88372
SMILES: C1CN(CCN1CC(=O)C2=CC=CC=C2)C3=NC4=C(S3)C=CC(=C4)Cl
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Product OPENEYE NAME: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CAS Name: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
IUPAC NAME: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
SYSTEMATIC NAME: 2-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
MOLECULAR FORMULA: C21H20ClN3O3S
MOLECULAR WEIGHT: 429.9198
SMILES: C1CN(CCN1CC(=O)C2=CC3=C(C=C2)OCCO3)C4=NC5=C(S4)C=CC(=C5)Cl
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Product OPENEYE NAME: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone
CAS Name: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone
IUPAC NAME: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone
SYSTEMATIC NAME: 2-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone
MOLECULAR FORMULA: C22H22ClN3O3S
MOLECULAR WEIGHT: 443.94638
SMILES: C1COC2=C(C=C(C=C2)C(=O)CN3CCN(CC3)C4=NC5=C(S4)C=CC(=C5)Cl)OC1
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Product OPENEYE NAME: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CAS Name: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-(4-fluorophenyl)ethanone
IUPAC NAME: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
SYSTEMATIC NAME: 2-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
MOLECULAR FORMULA: C19H17ClFN3OS
MOLECULAR WEIGHT: 389.874183
SMILES: C1CN(CCN1CC(=O)C2=CC=C(C=C2)F)C3=NC4=C(S3)C=CC(=C4)Cl
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