1-butyl-2-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylbenzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]benzimidazole-5-sulfonamide Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S2/c1-4-5-10-24-17-8-7-15(31(22,26)27)12-16(17)23-21(24)30-13-18(25)14-6-9-19(28-2)20(11-14)29-3/h6-9,11-12H,4-5,10,13H2,1-3H3,(H2,22,26,27)