1-butyl-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[2-(2-methylindolin-1-yl)-2-oxo-ethyl]sulfanyl-benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[2-keto-2-(2-methylindolin-1-yl)ethyl]thio]benzimidazole-5-sulfonamide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N3C(CC4=CC=CC=C43)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N3C(CC4=CC=CC=C43)C

InChI

InChI=1S/C22H26N4O3S2/c1-3-4-11-25-20-10-9-17(31(23,28)29)13-18(20)24-22(25)30-14-21(27)26-15(2)12-16-7-5-6-8-19(16)26/h5-10,13,15H,3-4,11-12,14H2,1-2H3,(H2,23,28,29)