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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-butyl-benzimidazole-5-sulfonamide Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-1-butyl-benzimidazole-5-sulfonamide CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-1-butyl-5-benzimidazolesulfonamide IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1-butylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-1-butyl-benzimidazole-5-sulfonamide Formula: C19H28N4O3S2 MolecularWeight: 424.58062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N3CCCCCC3

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N3CCCCCC3

InChI

InChI=1S/C19H28N4O3S2/c1-2-3-12-23-17-9-8-15(28(20,25)26)13-16(17)21-19(23)27-14-18(24)22-10-6-4-5-7-11-22/h8-9,13H,2-7,10-12,14H2,1H3,(H2,20,25,26)