1-butyl-2-[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[2-(4-ethoxyphenyl)-2-oxo-ethyl]sulfanyl-benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[2-(4-ethoxyphenyl)-2-oxoethyl]thio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanylbenzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[(2-keto-2-p-phenetyl-ethyl)thio]benzimidazole-5-sulfonamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C21H25N3O4S2/c1-3-5-12-24-19-11-10-17(30(22,26)27)13-18(19)23-21(24)29-14-20(25)15-6-8-16(9-7-15)28-4-2/h6-11,13H,3-5,12,14H2,1-2H3,(H2,22,26,27)