2-[1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]thio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl]thio]-1-propyl-benzimidazole-5-sulfonamide Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SC(C)C(=O)C3=C(NC4=CC=CC=C43)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SC(C)C(=O)C3=C(NC4=CC=CC=C43)C

InChI

InChI=1S/C22H24N4O3S2/c1-4-11-26-19-10-9-15(31(23,28)29)12-18(19)25-22(26)30-14(3)21(27)20-13(2)24-17-8-6-5-7-16(17)20/h5-10,12,14,24H,4,11H2,1-3H3,(H2,23,28,29)