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

Systemtic Name: N-[1-methyl-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide Openeye Name: N-[1-methyl-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide CAS Name: N-[1-methyl-2-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-5-benzimidazolyl]benzenesulfonamide IUPAC Name: N-[1-methyl-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide Traditional Name: N-[1-methyl-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide Formula: C26H30N5O2S+ MolecularWeight: 476.6137

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)N=C1CC[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)N=C1CC[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C26H29N5O2S/c1-29-25-13-12-21(28-34(32,33)23-10-6-3-7-11-23)20-24(25)27-26(29)14-15-30-16-18-31(19-17-30)22-8-4-2-5-9-22/h2-13,20,28H,14-19H2,1H3/p+1