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

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

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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=CNC4=CC=CC=C43

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SC(C)C(=O)C3=CNC4=CC=CC=C43

InChI

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