2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-1-ethyl-benzimidazole-5-sulfonamide CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-1-ethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1-ethylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-1-ethyl-benzimidazole-5-sulfonamide Formula: C17H24N4O3S2 MolecularWeight: 396.52746

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N3CCCCCC3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N3CCCCCC3

InChI

InChI=1S/C17H24N4O3S2/c1-2-21-15-8-7-13(26(18,23)24)11-14(15)19-17(21)25-12-16(22)20-9-5-3-4-6-10-20/h7-8,11H,2-6,9-10,12H2,1H3,(H2,18,23,24)