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

Systemtic Name: 1-butyl-2-[2-(1-ethyl-2-phenyl-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[2-(1-ethyl-2-phenyl-indol-3-yl)-2-oxo-ethyl]sulfanyl-benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[2-(1-ethyl-2-phenyl-3-indolyl)-2-oxoethyl]thio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl]sulfanylbenzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[2-(1-ethyl-2-phenyl-indol-3-yl)-2-keto-ethyl]thio]benzimidazole-5-sulfonamide Formula: C29H30N4O3S2 MolecularWeight: 546.7035

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C3=C(N(C4=CC=CC=C43)CC)C5=CC=CC=C5

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C3=C(N(C4=CC=CC=C43)CC)C5=CC=CC=C5

InChI

InChI=1S/C29H30N4O3S2/c1-3-5-17-33-25-16-15-21(38(30,35)36)18-23(25)31-29(33)37-19-26(34)27-22-13-9-10-14-24(22)32(4-2)28(27)20-11-7-6-8-12-20/h6-16,18H,3-5,17,19H2,1-2H3,(H2,30,35,36)