N-[1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-ium-1-yl]ethyl]benzimidazol-5-yl]benzenesulfonamide

Systemtic Name: N-[1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-ium-1-yl]ethyl]benzimidazol-5-yl]benzenesulfonamide Openeye Name: N-[1-methyl-2-[2-[4-(p-tolyl)piperazin-1-ium-1-yl]ethyl]benzimidazol-5-yl]benzenesulfonamide CAS Name: N-[1-methyl-2-[2-[4-(4-methylphenyl)-1-piperazin-1-iumyl]ethyl]-5-benzimidazolyl]benzenesulfonamide IUPAC Name: N-[1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-ium-1-yl]ethyl]benzimidazol-5-yl]benzenesulfonamide Traditional Name: N-[1-methyl-2-[2-[4-(p-tolyl)piperazin-1-ium-1-yl]ethyl]benzimidazol-5-yl]benzenesulfonamide Formula: C27H32N5O2S+ MolecularWeight: 490.64028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC[NH+](CC2)CCC3=NC4=C(N3C)C=CC(=C4)NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2CC[NH+](CC2)CCC3=NC4=C(N3C)C=CC(=C4)NS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H31N5O2S/c1-21-8-11-23(12-9-21)32-18-16-31(17-19-32)15-14-27-28-25-20-22(10-13-26(25)30(27)2)29-35(33,34)24-6-4-3-5-7-24/h3-13,20,29H,14-19H2,1-2H3/p+1