Friday, March 30, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-N-(4-phenoxyphenyl)methanesulfonamide
CAS Name: N-[(2S)-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]-N-(4-phenoxyphenyl)methanesulfonamide
IUPAC NAME: N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-N-(4-phenoxyphenyl)methanesulfonamide
SYSTEMATIC NAME: N-[(2S)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]-N-(4-phenoxyphenyl)methanesulfonamide
MOLECULAR FORMULA: C20H24N2O4S
MOLECULAR WEIGHT: 388.48056
SMILES: C[C@@H](C(=O)N1CCCC1)N(C2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C
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Product OPENEYE NAME: N-[(1R)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-N-(4-phenoxyphenyl)methanesulfonamide
CAS Name: N-[(2R)-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]-N-(4-phenoxyphenyl)methanesulfonamide
IUPAC NAME: N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-N-(4-phenoxyphenyl)methanesulfonamide
SYSTEMATIC NAME: N-[(2R)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]-N-(4-phenoxyphenyl)methanesulfonamide
MOLECULAR FORMULA: C20H24N2O4S
MOLECULAR WEIGHT: 388.48056
SMILES: C[C@H](C(=O)N1CCCC1)N(C2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C
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Product OPENEYE NAME: 2-(2,5-dichloro-N-methylsulfonyl-anilino)-N-(2-pyridylmethyl)acetamide
CAS Name: 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-pyridinylmethyl)acetamide
IUPAC NAME: 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
SYSTEMATIC NAME: 2-[[2,5-bis(chloranyl)phenyl]-methylsulfonyl-amino]-N-(pyridin-2-ylmethyl)ethanamide
MOLECULAR FORMULA: C15H15Cl2N3O3S
MOLECULAR WEIGHT: 388.2689
SMILES: CS(=O)(=O)N(CC(=O)NCC1=CC=CC=N1)C2=C(C=CC(=C2)Cl)Cl
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Product OPENEYE NAME: 2-(4-chloro-2-methyl-N-methylsulfonyl-anilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CAS Name: 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
IUPAC NAME: 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SYSTEMATIC NAME: 2-[(4-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide
MOLECULAR FORMULA: C18H19ClN2O5S
MOLECULAR WEIGHT: 410.87186
SMILES: CC1=C(C=CC(=C1)Cl)N(CC(=O)NC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C
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Product OPENEYE NAME: 1-[2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide
CAS Name: 1-[2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-1-oxoethyl]-4-piperidinecarboxamide
IUPAC NAME: 1-[2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide
SYSTEMATIC NAME: 1-[2-[[2-chloranyl-5-(trifluoromethyl)phenyl]-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxamide
MOLECULAR FORMULA: C16H19ClF3N3O4S
MOLECULAR WEIGHT: 441.85297
SMILES: CS(=O)(=O)N(CC(=O)N1CCC(CC1)C(=O)N)C2=C(C=CC(=C2)C(F)(F)F)Cl
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Product OPENEYE NAME: N-(2,5-dichlorophenyl)-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)methanesulfonamide
CAS Name: N-(2,5-dichlorophenyl)-N-[2-oxo-2-(1-pyrrolidinyl)ethyl]methanesulfonamide
IUPAC NAME: N-(2,5-dichlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
SYSTEMATIC NAME: N-[2,5-bis(chloranyl)phenyl]-N-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)methanesulfonamide
MOLECULAR FORMULA: C13H16Cl2N2O3S
MOLECULAR WEIGHT: 351.24874
SMILES: CS(=O)(=O)N(CC(=O)N1CCCC1)C2=C(C=CC(=C2)Cl)Cl
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Product OPENEYE NAME: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dichlorophenyl)sulfonyl-piperazine
CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dichlorophenyl)sulfonylpiperazine
IUPAC NAME: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dichlorophenyl)sulfonylpiperazine
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-ylmethyl)-4-[2,5-bis(chloranyl)phenyl]sulfonyl-piperazine
MOLECULAR FORMULA: C18H18Cl2N2O4S
MOLECULAR WEIGHT: 429.31752
SMILES: C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=C(C=CC(=C4)Cl)Cl
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Product OPENEYE NAME: 2-(3,5-dichloro-N-methylsulfonyl-anilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CAS Name: 2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
IUPAC NAME: 2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SYSTEMATIC NAME: 2-[[3,5-bis(chloranyl)phenyl]-methylsulfonyl-amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide
MOLECULAR FORMULA: C17H16Cl2N2O5S
MOLECULAR WEIGHT: 431.29034
SMILES: CS(=O)(=O)N(CC(=O)NC1=CC2=C(C=C1)OCCO2)C3=CC(=CC(=C3)Cl)Cl
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Product OPENEYE NAME: 2-(2,5-dichloro-N-methylsulfonyl-anilino)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]acetamide
CAS Name: 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[(2R)-2-oxolanyl]methyl]acetamide
IUPAC NAME: 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SYSTEMATIC NAME: 2-[[2,5-bis(chloranyl)phenyl]-methylsulfonyl-amino]-N-[[(2R)-oxolan-2-yl]methyl]ethanamide
MOLECULAR FORMULA: C14H18Cl2N2O4S
MOLECULAR WEIGHT: 381.27472
SMILES: CS(=O)(=O)N(CC(=O)NC[C@H]1CCCO1)C2=C(C=CC(=C2)Cl)Cl
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Product OPENEYE NAME: 2-(2,5-dichloro-N-methylsulfonyl-anilino)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]acetamide
CAS Name: 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[(2S)-2-oxolanyl]methyl]acetamide
IUPAC NAME: 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SYSTEMATIC NAME: 2-[[2,5-bis(chloranyl)phenyl]-methylsulfonyl-amino]-N-[[(2S)-oxolan-2-yl]methyl]ethanamide
MOLECULAR FORMULA: C14H18Cl2N2O4S
MOLECULAR WEIGHT: 381.27472
SMILES: CS(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)C2=C(C=CC(=C2)Cl)Cl
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Product OPENEYE NAME: ethyl 1-[2-(3,4-dichloro-N-methylsulfonyl-anilino)acetyl]piperidine-4-carboxylate
CAS Name: 1-[2-(3,4-dichloro-N-methylsulfonylanilino)-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-[2-(3,4-dichloro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate
SYSTEMATIC NAME: ethyl 1-[2-[(3,4-dichlorophenyl)-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C17H22Cl2N2O5S
MOLECULAR WEIGHT: 437.33798
SMILES: CCOC(=O)C1CCN(CC1)C(=O)CN(C2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)C
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Product OPENEYE NAME: ethyl (3aS,6aR)-4,6-dioxo-5-[2-(trifluoromethyl)phenyl]-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
CAS Name: (3aS,6aR)-4,6-dioxo-5-[2-(trifluoromethyl)phenyl]-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl (3aS,6aR)-4,6-dioxo-5-[2-(trifluoromethyl)phenyl]-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
SYSTEMATIC NAME: ethyl (3aS,6aR)-4,6-bis(oxidanylidene)-5-[2-(trifluoromethyl)phenyl]-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
MOLECULAR FORMULA: C15H12F3N3O4
MOLECULAR WEIGHT: 355.26869
SMILES: CCOC(=O)C1=NN[C@@H]2[C@@H]1C(=O)N(C2=O)C3=CC=CC=C3C(F)(F)F
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Product OPENEYE NAME: 2-chloro-5-fluoro-4-piperazin-1-yl-benzonitrile
CAS Name: 2-chloro-5-fluoro-4-(1-piperazinyl)benzonitrile
IUPAC NAME: 2-chloro-5-fluoro-4-piperazin-1-ylbenzonitrile
SYSTEMATIC NAME: 2-chloranyl-5-fluoranyl-4-piperazin-1-yl-benzenecarbonitrile
MOLECULAR FORMULA: C11H11ClFN3
MOLECULAR WEIGHT: 239.676543
SMILES: C1CN(CCN1)C2=C(C=C(C(=C2)Cl)C#N)F
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Product OPENEYE NAME: 1-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CAS Name: 1-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-2-(2-fluorophenoxy)ethanone
IUPAC NAME: 1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(2-fluorophenoxy)ethanone
SYSTEMATIC NAME: 1-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-(2-fluoranylphenoxy)ethanone
MOLECULAR FORMULA: C20H20F2N2O3
MOLECULAR WEIGHT: 374.381206
SMILES: CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)COC3=CC=CC=C3F)F
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Product OPENEYE NAME: 1-[4-(4-acetyl-2-fluoro-5-methyl-phenyl)piperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CAS Name: 1-[4-(4-acetyl-2-fluoro-5-methylphenyl)-1-piperazinyl]-2-(2-fluorophenoxy)ethanone
IUPAC NAME: 1-[4-(4-acetyl-2-fluoro-5-methylphenyl)piperazin-1-yl]-2-(2-fluorophenoxy)ethanone
SYSTEMATIC NAME: 1-[4-(4-ethanoyl-2-fluoranyl-5-methyl-phenyl)piperazin-1-yl]-2-(2-fluoranylphenoxy)ethanone
MOLECULAR FORMULA: C21H22F2N2O3
MOLECULAR WEIGHT: 388.407786
SMILES: CC1=CC(=C(C=C1C(=O)C)F)N2CCN(CC2)C(=O)COC3=CC=CC=C3F
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Product OPENEYE NAME: 1-[3-fluoro-4-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]phenyl]propan-1-one
CAS Name: 1-[3-fluoro-4-[4-[2-(2-fluorophenoxy)-1-oxoethyl]-1-piperazinyl]phenyl]-1-propanone
IUPAC NAME: 1-[3-fluoro-4-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]phenyl]propan-1-one
SYSTEMATIC NAME: 1-[3-fluoranyl-4-[4-[2-(2-fluoranylphenoxy)ethanoyl]piperazin-1-yl]phenyl]propan-1-one
MOLECULAR FORMULA: C21H22F2N2O3
MOLECULAR WEIGHT: 388.407786
SMILES: CCC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)COC3=CC=CC=C3F)F
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Product OPENEYE NAME: 1-[5-fluoro-4-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]-2-methyl-phenyl]propan-1-one
CAS Name: 1-[5-fluoro-4-[4-[2-(2-fluorophenoxy)-1-oxoethyl]-1-piperazinyl]-2-methylphenyl]-1-propanone
IUPAC NAME: 1-[5-fluoro-4-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]-2-methylphenyl]propan-1-one
SYSTEMATIC NAME: 1-[5-fluoranyl-4-[4-[2-(2-fluoranylphenoxy)ethanoyl]piperazin-1-yl]-2-methyl-phenyl]propan-1-one
MOLECULAR FORMULA: C22H24F2N2O3
MOLECULAR WEIGHT: 402.434366
SMILES: CCC(=O)C1=CC(=C(C=C1C)N2CCN(CC2)C(=O)COC3=CC=CC=C3F)F
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Product OPENEYE NAME: 1-[4-(4-acetyl-2-fluoro-5-methyl-phenyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CAS Name: 1-[4-(4-acetyl-2-fluoro-5-methylphenyl)-1-piperazinyl]-2-(4-fluorophenoxy)ethanone
IUPAC NAME: 1-[4-(4-acetyl-2-fluoro-5-methylphenyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
SYSTEMATIC NAME: 1-[4-(4-ethanoyl-2-fluoranyl-5-methyl-phenyl)piperazin-1-yl]-2-(4-fluoranylphenoxy)ethanone
MOLECULAR FORMULA: C21H22F2N2O3
MOLECULAR WEIGHT: 388.407786
SMILES: CC1=CC(=C(C=C1C(=O)C)F)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)F
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