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

Systemtic Name: 2-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-1-ethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-1-ethyl-benzimidazole-5-sulfonamide CAS Name: 2-[[1-(1-azepanyl)-1-oxopropan-2-yl]thio]-1-ethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanyl-1-ethylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-1-methyl-ethyl]thio]-1-ethyl-benzimidazole-5-sulfonamide Formula: C18H26N4O3S2 MolecularWeight: 410.55404

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SC(C)C(=O)N3CCCCCC3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SC(C)C(=O)N3CCCCCC3

InChI

InChI=1S/C18H26N4O3S2/c1-3-22-16-9-8-14(27(19,24)25)12-15(16)20-18(22)26-13(2)17(23)21-10-6-4-5-7-11-21/h8-9,12-13H,3-7,10-11H2,1-2H3,(H2,19,24,25)