N-butyl-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]sulfanyl-3H-benzimidazole-5-sulfonamide

Systemtic Name: N-butyl-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]sulfanyl-3H-benzimidazole-5-sulfonamide Openeye Name: 2-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-N-butyl-3H-benzimidazole-5-sulfonamide CAS Name: N-butyl-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]thio]-3H-benzimidazole-5-sulfonamide IUPAC Name: 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl-N-butyl-3H-benzimidazole-5-sulfonamide Traditional Name: 2-[[2-(4-benzylpiperazino)-2-keto-ethyl]thio]-N-butyl-3H-benzimidazole-5-sulfonamide Formula: C24H31N5O3S2 MolecularWeight: 501.66464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H31N5O3S2/c1-2-3-11-25-34(31,32)20-9-10-21-22(16-20)27-24(26-21)33-18-23(30)29-14-12-28(13-15-29)17-19-7-5-4-6-8-19/h4-10,16,25H,2-3,11-15,17-18H2,1H3,(H,26,27)