2-[3-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-oxidanylidene-propyl]-1-ethyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[3-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-oxidanylidene-propyl]-1-ethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[3-[4-(azepane-1-carbonyl)-1-piperidyl]-3-oxo-propyl]-1-ethyl-benzimidazole-5-sulfonamide CAS Name: 2-[3-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-3-oxopropyl]-1-ethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[3-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]-1-ethylbenzimidazole-5-sulfonamide Traditional Name: 2-[3-[4-(azepane-1-carbonyl)piperidino]-3-keto-propyl]-1-ethyl-benzimidazole-5-sulfonamide Formula: C24H35N5O4S MolecularWeight: 489.6308

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CCC(=O)N3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CCC(=O)N3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C24H35N5O4S/c1-2-29-21-8-7-19(34(25,32)33)17-20(21)26-22(29)9-10-23(30)27-15-11-18(12-16-27)24(31)28-13-5-3-4-6-14-28/h7-8,17-18H,2-6,9-16H2,1H3,(H2,25,32,33)