2-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-1-butyl-N,N-dimethyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-1-butyl-N,N-dimethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[3-(azepan-1-yl)-3-oxo-propyl]-1-butyl-N,N-dimethyl-benzimidazole-5-sulfonamide CAS Name: 2-[3-(1-azepanyl)-3-oxopropyl]-1-butyl-N,N-dimethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[3-(azepan-1-yl)-3-oxopropyl]-1-butyl-N,N-dimethylbenzimidazole-5-sulfonamide Traditional Name: 2-[3-(azepan-1-yl)-3-keto-propyl]-1-butyl-N,N-dimethyl-benzimidazole-5-sulfonamide Formula: C22H34N4O3S MolecularWeight: 434.59536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)N3CCCCCC3

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)N3CCCCCC3

InChI

InChI=1S/C22H34N4O3S/c1-4-5-16-26-20-11-10-18(30(28,29)24(2)3)17-19(20)23-21(26)12-13-22(27)25-14-8-6-7-9-15-25/h10-11,17H,4-9,12-16H2,1-3H3