1-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-(2-methylpropylsulfanyl)benzimidazole

Systemtic Name: 1-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-(2-methylpropylsulfanyl)benzimidazole Openeye Name: 2-isobutylsulfanyl-1-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]benzimidazole CAS Name: 1-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2-(2-methylpropylthio)benzimidazole IUPAC Name: 1-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-(2-methylpropylsulfanyl)benzimidazole Traditional Name: 2-(isobutylthio)-1-[(4-tosylpiperazin-1-ium-1-yl)methyl]benzimidazole Formula: C23H31N4O2S2+ MolecularWeight: 459.64784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C4=CC=CC=C4N=C3SCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C4=CC=CC=C4N=C3SCC(C)C

InChI

InChI=1S/C23H30N4O2S2/c1-18(2)16-30-23-24-21-6-4-5-7-22(21)27(23)17-25-12-14-26(15-13-25)31(28,29)20-10-8-19(3)9-11-20/h4-11,18H,12-17H2,1-3H3/p+1