2-[[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]-1-butyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]-1-butyl-benzimidazole-5-sulfonamide Openeye Name: 2-[[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]methyl]-1-butyl-benzimidazole-5-sulfonamide CAS Name: 2-[[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]methyl]-1-butyl-5-benzimidazolesulfonamide IUPAC Name: 2-[[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]-1-butylbenzimidazole-5-sulfonamide Traditional Name: 2-[[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]methyl]-1-butyl-benzimidazole-5-sulfonamide Formula: C24H38N6O3S MolecularWeight: 490.66192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN3CCN(CC3)CC(=O)N4CCCCCC4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN3CCN(CC3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C24H38N6O3S/c1-2-3-12-30-22-9-8-20(34(25,32)33)17-21(22)26-23(30)18-27-13-15-28(16-14-27)19-24(31)29-10-6-4-5-7-11-29/h8-9,17H,2-7,10-16,18-19H2,1H3,(H2,25,32,33)