1-butyl-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylbenzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]benzimidazole-5-sulfonamide Formula: C23H29N5O3S2 MolecularWeight: 487.63806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H29N5O3S2/c1-2-3-11-28-21-10-9-19(33(24,30)31)16-20(21)25-23(28)32-17-22(29)27-14-12-26(13-15-27)18-7-5-4-6-8-18/h4-10,16H,2-3,11-15,17H2,1H3,(H2,24,30,31)