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

Systemtic Name: 1-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-methylsulfanyl-benzimidazole Openeye Name: 2-methylsulfanyl-1-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]benzimidazole CAS Name: 1-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2-(methylthio)benzimidazole IUPAC Name: 1-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-methylsulfanylbenzimidazole Traditional Name: 2-(methylthio)-1-[(4-tosylpiperazin-1-ium-1-yl)methyl]benzimidazole Formula: C20H25N4O2S2+ MolecularWeight: 417.5681

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C4=CC=CC=C4N=C3SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C4=CC=CC=C4N=C3SC

InChI

InChI=1S/C20H24N4O2S2/c1-16-7-9-17(10-8-16)28(25,26)23-13-11-22(12-14-23)15-24-19-6-4-3-5-18(19)21-20(24)27-2/h3-10H,11-15H2,1-2H3/p+1