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

Systemtic Name: 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[2-(2-methylindolin-1-yl)-2-oxo-ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-keto-2-(2-methylindolin-1-yl)ethyl]thio]-1-propyl-benzimidazole-5-sulfonamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N3C(CC4=CC=CC=C43)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N3C(CC4=CC=CC=C43)C

InChI

InChI=1S/C21H24N4O3S2/c1-3-10-24-19-9-8-16(30(22,27)28)12-17(19)23-21(24)29-13-20(26)25-14(2)11-15-6-4-5-7-18(15)25/h4-9,12,14H,3,10-11,13H2,1-2H3,(H2,22,27,28)