Wednesday, May 8, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 5-[(3S)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N,1-dimethyl-pyrrole-3-sulfonamide
CAS Name: 5-[[(3S)-3-(1H-benzimidazol-2-yl)-1-piperidinyl]-oxomethyl]-N,1-dimethyl-3-pyrrolesulfonamide
IUPAC NAME: 5-[(3S)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide
SYSTEMATIC NAME: 5-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]carbonyl-N,1-dimethyl-pyrrole-3-sulfonamide
MOLECULAR FORMULA: C19H23N5O3S
MOLECULAR WEIGHT: 401.48262
SMILES: CNS(=O)(=O)C1=CN(C(=C1)C(=O)N2CCC[C@@H](C2)C3=NC4=CC=CC=C4N3)C
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Product OPENEYE NAME: N-[4-[(3R)-3-(1H-benzimidazol-2-yl)-1-piperidyl]-4-oxo-butyl]-4-methoxy-N-methyl-benzenesulfonamide
CAS Name: N-[4-[(3R)-3-(1H-benzimidazol-2-yl)-1-piperidinyl]-4-oxobutyl]-4-methoxy-N-methylbenzenesulfonamide
IUPAC NAME: N-[4-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutyl]-4-methoxy-N-methylbenzenesulfonamide
SYSTEMATIC NAME: N-[4-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxidanylidene-butyl]-4-methoxy-N-methyl-benzenesulfonamide
MOLECULAR FORMULA: C24H30N4O4S
MOLECULAR WEIGHT: 470.5844
SMILES: CN(CCCC(=O)N1CCC[C@H](C1)C2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=C(C=C4)OC
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Product OPENEYE NAME: N-[4-[(3S)-3-(1H-benzimidazol-2-yl)-1-piperidyl]-4-oxo-butyl]-4-methoxy-N-methyl-benzenesulfonamide
CAS Name: N-[4-[(3S)-3-(1H-benzimidazol-2-yl)-1-piperidinyl]-4-oxobutyl]-4-methoxy-N-methylbenzenesulfonamide
IUPAC NAME: N-[4-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutyl]-4-methoxy-N-methylbenzenesulfonamide
SYSTEMATIC NAME: N-[4-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxidanylidene-butyl]-4-methoxy-N-methyl-benzenesulfonamide
MOLECULAR FORMULA: C24H30N4O4S
MOLECULAR WEIGHT: 470.5844
SMILES: CN(CCCC(=O)N1CCC[C@@H](C1)C2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=C(C=C4)OC
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Product OPENEYE NAME: (E)-3-(3-benzyloxyphenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-prop-2-enamide
CAS Name: (E)-N-[(3R)-1,1-dioxo-3-thiolanyl]-N-methyl-3-(3-phenylmethoxyphenyl)-2-propenamide
IUPAC NAME: (E)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-3-(3-phenylmethoxyphenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-3-(3-phenylmethoxyphenyl)prop-2-enamide
MOLECULAR FORMULA: C21H23NO4S
MOLECULAR WEIGHT: 385.47662
SMILES: CN([C@@H]1CCS(=O)(=O)C1)C(=O)/C=C/C2=CC(=CC=C2)OCC3=CC=CC=C3
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Product OPENEYE NAME: (E)-3-(3-benzyloxyphenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-prop-2-enamide
CAS Name: (E)-N-[(3S)-1,1-dioxo-3-thiolanyl]-N-methyl-3-(3-phenylmethoxyphenyl)-2-propenamide
IUPAC NAME: (E)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-(3-phenylmethoxyphenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-3-(3-phenylmethoxyphenyl)prop-2-enamide
MOLECULAR FORMULA: C21H23NO4S
MOLECULAR WEIGHT: 385.47662
SMILES: CN([C@H]1CCS(=O)(=O)C1)C(=O)/C=C/C2=CC(=CC=C2)OCC3=CC=CC=C3
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Product OPENEYE NAME: (E)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-3-[3-[(2-methylthiazol-4-yl)methoxy]phenyl]prop-2-enamide
CAS Name: (E)-N-[(3R)-1,1-dioxo-3-thiolanyl]-N-methyl-3-[3-[(2-methyl-4-thiazolyl)methoxy]phenyl]-2-propenamide
IUPAC NAME: (E)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
SYSTEMATIC NAME: (E)-N-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
MOLECULAR FORMULA: C19H22N2O4S2
MOLECULAR WEIGHT: 406.51898
SMILES: CC1=NC(=CS1)COC2=CC=CC(=C2)/C=C/C(=O)N(C)[C@@H]3CCS(=O)(=O)C3
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Product OPENEYE NAME: (E)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-[3-[(2-methylthiazol-4-yl)methoxy]phenyl]prop-2-enamide
CAS Name: (E)-N-[(3S)-1,1-dioxo-3-thiolanyl]-N-methyl-3-[3-[(2-methyl-4-thiazolyl)methoxy]phenyl]-2-propenamide
IUPAC NAME: (E)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
SYSTEMATIC NAME: (E)-N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
MOLECULAR FORMULA: C19H22N2O4S2
MOLECULAR WEIGHT: 406.51898
SMILES: CC1=NC(=CS1)COC2=CC=CC(=C2)/C=C/C(=O)N(C)[C@H]3CCS(=O)(=O)C3
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Product OPENEYE NAME: (2R)-2-(4-chloro-2-methyl-phenoxy)-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide
CAS Name: (2R)-2-(4-chloro-2-methylphenoxy)-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide
IUPAC NAME: (2R)-2-(4-chloro-2-methylphenoxy)-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide
SYSTEMATIC NAME: (2R)-2-(4-chloranyl-2-methyl-phenoxy)-N-[[3-(methylsulfonylamino)phenyl]methyl]propanamide
MOLECULAR FORMULA: C18H21ClN2O4S
MOLECULAR WEIGHT: 396.88834
SMILES: CC1=C(C=CC(=C1)Cl)O[C@H](C)C(=O)NCC2=CC(=CC=C2)NS(=O)(=O)C
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Product OPENEYE NAME: (2S)-2-(4-chloro-2-methyl-phenoxy)-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide
CAS Name: (2S)-2-(4-chloro-2-methylphenoxy)-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide
IUPAC NAME: (2S)-2-(4-chloro-2-methylphenoxy)-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide
SYSTEMATIC NAME: (2S)-2-(4-chloranyl-2-methyl-phenoxy)-N-[[3-(methylsulfonylamino)phenyl]methyl]propanamide
MOLECULAR FORMULA: C18H21ClN2O4S
MOLECULAR WEIGHT: 396.88834
SMILES: CC1=C(C=CC(=C1)Cl)O[C@@H](C)C(=O)NCC2=CC(=CC=C2)NS(=O)(=O)C
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Product OPENEYE NAME: N-[[3-(methanesulfonamido)phenyl]methyl]-4-[[(2S)-tetrahydrofuran-2-yl]methoxy]benzamide
CAS Name: N-[[3-(methanesulfonamido)phenyl]methyl]-4-[[(2S)-2-oxolanyl]methoxy]benzamide
IUPAC NAME: N-[[3-(methanesulfonamido)phenyl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
SYSTEMATIC NAME: N-[[3-(methylsulfonylamino)phenyl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
MOLECULAR FORMULA: C20H24N2O5S
MOLECULAR WEIGHT: 404.47996
SMILES: CS(=O)(=O)NC1=CC=CC(=C1)CNC(=O)C2=CC=C(C=C2)OC[C@@H]3CCCO3
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Product OPENEYE NAME: N-[[3-(methanesulfonamido)phenyl]methyl]-4-[[(2R)-tetrahydrofuran-2-yl]methoxy]benzamide
CAS Name: N-[[3-(methanesulfonamido)phenyl]methyl]-4-[[(2R)-2-oxolanyl]methoxy]benzamide
IUPAC NAME: N-[[3-(methanesulfonamido)phenyl]methyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
SYSTEMATIC NAME: N-[[3-(methylsulfonylamino)phenyl]methyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
MOLECULAR FORMULA: C20H24N2O5S
MOLECULAR WEIGHT: 404.47996
SMILES: CS(=O)(=O)NC1=CC=CC(=C1)CNC(=O)C2=CC=C(C=C2)OC[C@H]3CCCO3
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Product OPENEYE NAME: N-(2-cyanoethyl)-N-phenyl-2-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide
CAS Name: N-(2-cyanoethyl)-N-phenyl-2-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1-piperazinyl]acetamide
IUPAC NAME: N-(2-cyanoethyl)-N-phenyl-2-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide
SYSTEMATIC NAME: N-(2-cyanoethyl)-N-phenyl-2-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C25H25F3N6O2
MOLECULAR WEIGHT: 498.50021
SMILES: C1CN(CCN1CC2=NC(=NO2)C3=CC(=CC=C3)C(F)(F)F)CC(=O)N(CCC#N)C4=CC=CC=C4
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Product OPENEYE NAME: 4-[[2-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetyl]amino]benzamide
CAS Name: 4-[[1-oxo-2-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1-piperazinyl]ethyl]amino]benzamide
IUPAC NAME: 4-[[2-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetyl]amino]benzamide
SYSTEMATIC NAME: 4-[2-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanoylamino]benzamide
MOLECULAR FORMULA: C23H23F3N6O3
MOLECULAR WEIGHT: 488.46233
SMILES: C1CN(CCN1CC2=NC(=NO2)C3=CC(=CC=C3)C(F)(F)F)CC(=O)NC4=CC=C(C=C4)C(=O)N
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Product OPENEYE NAME: N-(5-methylisoxazol-3-yl)-3-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]propanamide
CAS Name: N-(5-methyl-3-isoxazolyl)-3-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-4-iumyl]propanamide
IUPAC NAME: N-(5-methyl-1,2-oxazol-3-yl)-3-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]propanamide
SYSTEMATIC NAME: N-(5-methyl-1,2-oxazol-3-yl)-3-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]propanamide
MOLECULAR FORMULA: C21H24F3N6O3+
MOLECULAR WEIGHT: 465.44887
SMILES: CC1=CC(=NO1)NC(=O)CCN2CC[NH+](CC2)CC3=NC(=NO3)C4=CC(=CC=C4)C(F)(F)F
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Product OPENEYE NAME: N-(5-methylisoxazol-3-yl)-3-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
CAS Name: N-(5-methyl-3-isoxazolyl)-3-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1-piperazinyl]propanamide
IUPAC NAME: N-(5-methyl-1,2-oxazol-3-yl)-3-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
SYSTEMATIC NAME: N-(5-methyl-1,2-oxazol-3-yl)-3-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
MOLECULAR FORMULA: C21H23F3N6O3
MOLECULAR WEIGHT: 464.44093
SMILES: CC1=CC(=NO1)NC(=O)CCN2CCN(CC2)CC3=NC(=NO3)C4=CC(=CC=C4)C(F)(F)F
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Product OPENEYE NAME: N-[[3-(methanesulfonamido)phenyl]methyl]-2,3-dimethyl-quinoxaline-6-carboxamide
CAS Name: N-[[3-(methanesulfonamido)phenyl]methyl]-2,3-dimethyl-6-quinoxalinecarboxamide
IUPAC NAME: N-[[3-(methanesulfonamido)phenyl]methyl]-2,3-dimethylquinoxaline-6-carboxamide
SYSTEMATIC NAME: 2,3-dimethyl-N-[[3-(methylsulfonylamino)phenyl]methyl]quinoxaline-6-carboxamide
MOLECULAR FORMULA: C19H20N4O3S
MOLECULAR WEIGHT: 384.4521
SMILES: CC1=NC2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)NS(=O)(=O)C)N=C1C
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Product OPENEYE NAME: 1-[4-(4-hydroxyphenyl)-1-piperidyl]-3-methyl-butan-1-one
CAS Name: 1-[4-(4-hydroxyphenyl)-1-piperidinyl]-3-methyl-1-butanone
IUPAC NAME: 1-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-methylbutan-1-one
SYSTEMATIC NAME: 1-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-methyl-butan-1-one
MOLECULAR FORMULA: C16H23NO2
MOLECULAR WEIGHT: 261.35932
SMILES: CC(C)CC(=O)N1CCC(CC1)C2=CC=C(C=C2)O
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Product OPENEYE NAME: [4-(4-hydroxyphenyl)-1-piperidyl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CAS Name: [4-(4-hydroxyphenyl)-1-piperidinyl]-[3-(1-pyrrolidinylsulfonyl)phenyl]methanone
IUPAC NAME: [4-(4-hydroxyphenyl)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
SYSTEMATIC NAME: [4-(4-hydroxyphenyl)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
MOLECULAR FORMULA: C22H26N2O4S
MOLECULAR WEIGHT: 414.51784
SMILES: C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCC(CC3)C4=CC=C(C=C4)O
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Product OPENEYE NAME: cyclopentyl-[4-(4-hydroxyphenyl)-1-piperidyl]methanone
CAS Name: cyclopentyl-[4-(4-hydroxyphenyl)-1-piperidinyl]methanone
IUPAC NAME: cyclopentyl-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
SYSTEMATIC NAME: cyclopentyl-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
MOLECULAR FORMULA: C17H23NO2
MOLECULAR WEIGHT: 273.37002
SMILES: C1CCC(C1)C(=O)N2CCC(CC2)C3=CC=C(C=C3)O
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