1-butyl-N,N-dimethyl-2-(2-oxidanylideneazepan-3-yl)sulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-N,N-dimethyl-2-(2-oxidanylideneazepan-3-yl)sulfanyl-benzimidazole-5-sulfonamide Openeye Name: 1-butyl-N,N-dimethyl-2-(2-oxoazepan-3-yl)sulfanyl-benzimidazole-5-sulfonamide CAS Name: 1-butyl-N,N-dimethyl-2-[(2-oxo-3-azepanyl)thio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-N,N-dimethyl-2-(2-oxoazepan-3-yl)sulfanylbenzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[(2-ketoazepan-3-yl)thio]-N,N-dimethyl-benzimidazole-5-sulfonamide Formula: C19H28N4O3S2 MolecularWeight: 424.58062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1SC3CCCCNC3=O

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1SC3CCCCNC3=O

InChI

InChI=1S/C19H28N4O3S2/c1-4-5-12-23-16-10-9-14(28(25,26)22(2)3)13-15(16)21-19(23)27-17-8-6-7-11-20-18(17)24/h9-10,13,17H,4-8,11-12H2,1-3H3,(H,20,24)