1-butyl-2-[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[2-(1H-indol-3-yl)-2-oxo-ethyl]sulfanyl-benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[2-(1H-indol-3-yl)-2-oxoethyl]thio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanylbenzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[2-(1H-indol-3-yl)-2-keto-ethyl]thio]benzimidazole-5-sulfonamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H22N4O3S2/c1-2-3-10-25-19-9-8-14(30(22,27)28)11-18(19)24-21(25)29-13-20(26)16-12-23-17-7-5-4-6-15(16)17/h4-9,11-12,23H,2-3,10,13H2,1H3,(H2,22,27,28)