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

Systemtic Name: 2-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-1-ethyl-N,N-dimethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[3-(azepan-1-yl)-3-oxo-propyl]-1-ethyl-N,N-dimethyl-benzimidazole-5-sulfonamide CAS Name: 2-[3-(1-azepanyl)-3-oxopropyl]-1-ethyl-N,N-dimethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[3-(azepan-1-yl)-3-oxopropyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide Traditional Name: 2-[3-(azepan-1-yl)-3-keto-propyl]-1-ethyl-N,N-dimethyl-benzimidazole-5-sulfonamide Formula: C20H30N4O3S MolecularWeight: 406.5422

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)N3CCCCCC3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)N3CCCCCC3

InChI

InChI=1S/C20H30N4O3S/c1-4-24-18-10-9-16(28(26,27)22(2)3)15-17(18)21-19(24)11-12-20(25)23-13-7-5-6-8-14-23/h9-10,15H,4-8,11-14H2,1-3H3