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

Systemtic Name: 1-butyl-2-[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[2-(3,4-dimethylphenyl)-2-oxo-ethyl]sulfanyl-benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[2-(3,4-dimethylphenyl)-2-oxoethyl]thio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[2-(3,4-dimethylphenyl)-2-oxoethyl]sulfanylbenzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[2-(3,4-dimethylphenyl)-2-keto-ethyl]thio]benzimidazole-5-sulfonamide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S2/c1-4-5-10-24-19-9-8-17(29(22,26)27)12-18(19)23-21(24)28-13-20(25)16-7-6-14(2)15(3)11-16/h6-9,11-12H,4-5,10,13H2,1-3H3,(H2,22,26,27)