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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-butyl-N,N-dimethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-1-butyl-N,N-dimethyl-benzimidazole-5-sulfonamide CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-1-butyl-N,N-dimethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1-butyl-N,N-dimethylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-1-butyl-N,N-dimethyl-benzimidazole-5-sulfonamide Formula: C21H32N4O3S2 MolecularWeight: 452.63378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O3S2/c1-4-5-14-25-19-11-10-17(30(27,28)23(2)3)15-18(19)22-21(25)29-16-20(26)24-12-8-6-7-9-13-24/h10-11,15H,4-9,12-14,16H2,1-3H3