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

Systemtic Name: 1-butyl-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[2-(4-methylphenyl)-2-oxoethyl]thio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylbenzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[2-keto-2-(p-tolyl)ethyl]thio]benzimidazole-5-sulfonamide Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S2/c1-3-4-11-23-18-10-9-16(28(21,25)26)12-17(18)22-20(23)27-13-19(24)15-7-5-14(2)6-8-15/h5-10,12H,3-4,11,13H2,1-2H3,(H2,21,25,26)