Wednesday, May 8, 2013

All Chemical Compounds Information



Product OPENEYE NAME: 2-[[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CAS Name: 2-[[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
IUPAC NAME: 2-[[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-[[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
MOLECULAR FORMULA: C22H25ClN4O2
MOLECULAR WEIGHT: 412.9125
SMILES: COC1=CC=C(C=C1)C2=NN=C(O2)CN3CCCN(CC3)CC4=CC=C(C=C4)Cl
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Product OPENEYE NAME: N-[(1R)-1-benzyl-2-[4-[(2-morpholinoacetyl)amino]anilino]-2-oxo-ethyl]thiophene-2-carboxamide
CAS Name: N-[(2R)-1-[4-[[2-(4-morpholinyl)-1-oxoethyl]amino]anilino]-1-oxo-3-phenylpropan-2-yl]-2-thiophenecarboxamide
IUPAC NAME: N-[(2R)-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
SYSTEMATIC NAME: N-[(2R)-1-[[4-(2-morpholin-4-ylethanoylamino)phenyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]thiophene-2-carboxamide
MOLECULAR FORMULA: C26H28N4O4S
MOLECULAR WEIGHT: 492.58992
SMILES: C1COCCN1CC(=O)NC2=CC=C(C=C2)NC(=O)[C@@H](CC3=CC=CC=C3)NC(=O)C4=CC=CS4
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Product OPENEYE NAME: N-[(1S)-1-benzyl-2-[4-[(2-morpholinoacetyl)amino]anilino]-2-oxo-ethyl]thiophene-2-carboxamide
CAS Name: N-[(2S)-1-[4-[[2-(4-morpholinyl)-1-oxoethyl]amino]anilino]-1-oxo-3-phenylpropan-2-yl]-2-thiophenecarboxamide
IUPAC NAME: N-[(2S)-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
SYSTEMATIC NAME: N-[(2S)-1-[[4-(2-morpholin-4-ylethanoylamino)phenyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]thiophene-2-carboxamide
MOLECULAR FORMULA: C26H28N4O4S
MOLECULAR WEIGHT: 492.58992
SMILES: C1COCCN1CC(=O)NC2=CC=C(C=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CS4
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Product OPENEYE NAME: ethyl 2-[[5-[(1-isopropyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CAS Name: 2-[[5-[[oxo-(6-phenyl-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinyl)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[[5-[(6-phenyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
SYSTEMATIC NAME: ethyl 2-[[5-[(6-phenyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate
MOLECULAR FORMULA: C22H22N6O3S2
MOLECULAR WEIGHT: 482.57848
SMILES: CCOC(=O)CSC1=NN=C(S1)NC(=O)C2=CC(=NC3=C2C=NN3C(C)C)C4=CC=CC=C4
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Product OPENEYE NAME: 1-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]-3-(1,3,4,6-tetramethylpyrazolo[3,4-b]pyridin-5-yl)propan-1-one
CAS Name: 1-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-3-(1,3,4,6-tetramethyl-5-pyrazolo[3,4-b]pyridinyl)-1-propanone
IUPAC NAME: 1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-3-(1,3,4,6-tetramethylpyrazolo[3,4-b]pyridin-5-yl)propan-1-one
SYSTEMATIC NAME: 1-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-3-(1,3,4,6-tetramethylpyrazolo[3,4-b]pyridin-5-yl)propan-1-one
MOLECULAR FORMULA: C24H29ClFN5O
MOLECULAR WEIGHT: 457.971363
SMILES: CC1=C2C(=NN(C2=NC(=C1CCC(=O)N3CCN(CC3)CC4=C(C=CC=C4Cl)F)C)C)C
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Product OPENEYE NAME: 2-[2-[(4-fluorophenoxy)methyl]thiazol-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CAS Name: 2-[2-[(4-fluorophenoxy)methyl]-4-thiazolyl]-N-(1,3,5-trimethyl-4-pyrazolyl)acetamide
IUPAC NAME: 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SYSTEMATIC NAME: 2-[2-[(4-fluoranylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide
MOLECULAR FORMULA: C18H19FN4O2S
MOLECULAR WEIGHT: 374.432463
SMILES: CC1=C(C(=NN1C)C)NC(=O)CC2=CSC(=N2)COC3=CC=C(C=C3)F
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Product OPENEYE NAME: (2R)-N-(4-methylthiazol-2-yl)-2-(4-nitrophenyl)sulfanyl-N-phenyl-propanamide
CAS Name: (2R)-N-(4-methyl-2-thiazolyl)-2-[(4-nitrophenyl)thio]-N-phenylpropanamide
IUPAC NAME: (2R)-N-(4-methyl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)sulfanyl-N-phenylpropanamide
SYSTEMATIC NAME: (2R)-N-(4-methyl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)sulfanyl-N-phenyl-propanamide
MOLECULAR FORMULA: C19H17N3O3S2
MOLECULAR WEIGHT: 399.48658
SMILES: CC1=CSC(=N1)N(C2=CC=CC=C2)C(=O)[C@@H](C)SC3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: (2S)-N-(4-methylthiazol-2-yl)-2-(4-nitrophenyl)sulfanyl-N-phenyl-propanamide
CAS Name: (2S)-N-(4-methyl-2-thiazolyl)-2-[(4-nitrophenyl)thio]-N-phenylpropanamide
IUPAC NAME: (2S)-N-(4-methyl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)sulfanyl-N-phenylpropanamide
SYSTEMATIC NAME: (2S)-N-(4-methyl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)sulfanyl-N-phenyl-propanamide
MOLECULAR FORMULA: C19H17N3O3S2
MOLECULAR WEIGHT: 399.48658
SMILES: CC1=CSC(=N1)N(C2=CC=CC=C2)C(=O)[C@H](C)SC3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: [(3R)-3-(1H-benzimidazol-2-yl)-1-piperidyl]-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]methanone
CAS Name: [(3R)-3-(1H-benzimidazol-2-yl)-1-piperidinyl]-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolyl]methanone
IUPAC NAME: [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]methanone
SYSTEMATIC NAME: [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]methanone
MOLECULAR FORMULA: C26H27N5O3
MOLECULAR WEIGHT: 457.52428
SMILES: CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)N4CCC[C@H](C4)C5=NC6=CC=CC=C6N5
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Product OPENEYE NAME: [(3S)-3-(1H-benzimidazol-2-yl)-1-piperidyl]-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]methanone
CAS Name: [(3S)-3-(1H-benzimidazol-2-yl)-1-piperidinyl]-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolyl]methanone
IUPAC NAME: [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]methanone
SYSTEMATIC NAME: [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]methanone
MOLECULAR FORMULA: C26H27N5O3
MOLECULAR WEIGHT: 457.52428
SMILES: CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)N4CCC[C@@H](C4)C5=NC6=CC=CC=C6N5
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Product OPENEYE NAME: N-[3-(N-(4-methylthiazol-2-yl)anilino)-3-oxo-propyl]adamantane-1-carboxamide
CAS Name: N-[3-(N-(4-methyl-2-thiazolyl)anilino)-3-oxopropyl]-1-adamantanecarboxamide
IUPAC NAME: N-[3-(N-(4-methyl-1,3-thiazol-2-yl)anilino)-3-oxopropyl]adamantane-1-carboxamide
SYSTEMATIC NAME: N-[3-[(4-methyl-1,3-thiazol-2-yl)-phenyl-amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide
MOLECULAR FORMULA: C24H29N3O2S
MOLECULAR WEIGHT: 423.57096
SMILES: CC1=CSC(=N1)N(C2=CC=CC=C2)C(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4
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Product OPENEYE NAME: [(3R)-3-(1H-benzimidazol-2-yl)-1-piperidyl]-(5-ethyl-4-methyl-2-thienyl)methanone
CAS Name: [(3R)-3-(1H-benzimidazol-2-yl)-1-piperidinyl]-(5-ethyl-4-methyl-2-thiophenyl)methanone
IUPAC NAME: [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone
SYSTEMATIC NAME: [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-ethyl-4-methyl-thiophen-2-yl)methanone
MOLECULAR FORMULA: C20H23N3OS
MOLECULAR WEIGHT: 353.48112
SMILES: CCC1=C(C=C(S1)C(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4N3)C
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Product OPENEYE NAME: [(3S)-3-(1H-benzimidazol-2-yl)-1-piperidyl]-(5-ethyl-4-methyl-2-thienyl)methanone
CAS Name: [(3S)-3-(1H-benzimidazol-2-yl)-1-piperidinyl]-(5-ethyl-4-methyl-2-thiophenyl)methanone
IUPAC NAME: [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone
SYSTEMATIC NAME: [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-ethyl-4-methyl-thiophen-2-yl)methanone
MOLECULAR FORMULA: C20H23N3OS
MOLECULAR WEIGHT: 353.48112
SMILES: CCC1=C(C=C(S1)C(=O)N2CCC[C@@H](C2)C3=NC4=CC=CC=C4N3)C
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Product OPENEYE NAME: 1-[(3R)-3-(1H-benzimidazol-2-yl)-1-piperidyl]-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CAS Name: 1-[(3R)-3-(1H-benzimidazol-2-yl)-1-piperidinyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1-propanone
IUPAC NAME: 1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
SYSTEMATIC NAME: 1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
MOLECULAR FORMULA: C21H21N5O2S
MOLECULAR WEIGHT: 407.48874
SMILES: C1C[C@H](CN(C1)C(=O)CCC2=NC(=NO2)C3=CC=CS3)C4=NC5=CC=CC=C5N4
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Product OPENEYE NAME: 1-[(3S)-3-(1H-benzimidazol-2-yl)-1-piperidyl]-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CAS Name: 1-[(3S)-3-(1H-benzimidazol-2-yl)-1-piperidinyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1-propanone
IUPAC NAME: 1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
SYSTEMATIC NAME: 1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
MOLECULAR FORMULA: C21H21N5O2S
MOLECULAR WEIGHT: 407.48874
SMILES: C1C[C@@H](CN(C1)C(=O)CCC2=NC(=NO2)C3=CC=CS3)C4=NC5=CC=CC=C5N4
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Product OPENEYE NAME: 1-[(2S)-2-[(3R)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CAS Name: 1-[(2S)-2-[[(3R)-3-(1H-benzimidazol-2-yl)-1-piperidinyl]-oxomethyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
IUPAC NAME: 1-[(2S)-2-[(3R)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
SYSTEMATIC NAME: 1-[(2S)-2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]carbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
MOLECULAR FORMULA: C23H24N4O3
MOLECULAR WEIGHT: 404.46166
SMILES: CC(=O)N1C[C@H](OC2=CC=CC=C21)C(=O)N3CCC[C@H](C3)C4=NC5=CC=CC=C5N4
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Product OPENEYE NAME: 1-[(2R)-2-[(3R)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CAS Name: 1-[(2R)-2-[[(3R)-3-(1H-benzimidazol-2-yl)-1-piperidinyl]-oxomethyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
IUPAC NAME: 1-[(2R)-2-[(3R)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
SYSTEMATIC NAME: 1-[(2R)-2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]carbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
MOLECULAR FORMULA: C23H24N4O3
MOLECULAR WEIGHT: 404.46166
SMILES: CC(=O)N1C[C@@H](OC2=CC=CC=C21)C(=O)N3CCC[C@H](C3)C4=NC5=CC=CC=C5N4
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Product OPENEYE NAME: 1-[(2S)-2-[(3S)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CAS Name: 1-[(2S)-2-[[(3S)-3-(1H-benzimidazol-2-yl)-1-piperidinyl]-oxomethyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
IUPAC NAME: 1-[(2S)-2-[(3S)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
SYSTEMATIC NAME: 1-[(2S)-2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]carbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
MOLECULAR FORMULA: C23H24N4O3
MOLECULAR WEIGHT: 404.46166
SMILES: CC(=O)N1C[C@H](OC2=CC=CC=C21)C(=O)N3CCC[C@@H](C3)C4=NC5=CC=CC=C5N4
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Product OPENEYE NAME: 1-[(2R)-2-[(3S)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CAS Name: 1-[(2R)-2-[[(3S)-3-(1H-benzimidazol-2-yl)-1-piperidinyl]-oxomethyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
IUPAC NAME: 1-[(2R)-2-[(3S)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
SYSTEMATIC NAME: 1-[(2R)-2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]carbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
MOLECULAR FORMULA: C23H24N4O3
MOLECULAR WEIGHT: 404.46166
SMILES: CC(=O)N1C[C@@H](OC2=CC=CC=C21)C(=O)N3CCC[C@@H](C3)C4=NC5=CC=CC=C5N4
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Product OPENEYE NAME: 3-(4-acetyl-5-methyl-2-furyl)-1-[(3R)-3-(1H-benzimidazol-2-yl)-1-piperidyl]propan-1-one
CAS Name: 3-(4-acetyl-5-methyl-2-furanyl)-1-[(3R)-3-(1H-benzimidazol-2-yl)-1-piperidinyl]-1-propanone
IUPAC NAME: 3-(4-acetyl-5-methylfuran-2-yl)-1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
SYSTEMATIC NAME: 1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(4-ethanoyl-5-methyl-furan-2-yl)propan-1-one
MOLECULAR FORMULA: C22H25N3O3
MOLECULAR WEIGHT: 379.4522
SMILES: CC1=C(C=C(O1)CCC(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4N3)C(=O)C
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Product OPENEYE NAME: 3-(4-acetyl-5-methyl-2-furyl)-1-[(3S)-3-(1H-benzimidazol-2-yl)-1-piperidyl]propan-1-one
CAS Name: 3-(4-acetyl-5-methyl-2-furanyl)-1-[(3S)-3-(1H-benzimidazol-2-yl)-1-piperidinyl]-1-propanone
IUPAC NAME: 3-(4-acetyl-5-methylfuran-2-yl)-1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
SYSTEMATIC NAME: 1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(4-ethanoyl-5-methyl-furan-2-yl)propan-1-one
MOLECULAR FORMULA: C22H25N3O3
MOLECULAR WEIGHT: 379.4522
SMILES: CC1=C(C=C(O1)CCC(=O)N2CCC[C@@H](C2)C3=NC4=CC=CC=C4N3)C(=O)C
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Product OPENEYE NAME: 5-[(3R)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N,1-dimethyl-pyrrole-3-sulfonamide
CAS Name: 5-[[(3R)-3-(1H-benzimidazol-2-yl)-1-piperidinyl]-oxomethyl]-N,1-dimethyl-3-pyrrolesulfonamide
IUPAC NAME: 5-[(3R)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide
SYSTEMATIC NAME: 5-[(3R)-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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