N-(2-methylphenyl)-4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethoxy]benzenesulfonamide

Systemtic Name: N-(2-methylphenyl)-4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethoxy]benzenesulfonamide Openeye Name: 4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethoxy]-N-(o-tolyl)benzenesulfonamide CAS Name: N-(2-methylphenyl)-4-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethoxy]benzenesulfonamide IUPAC Name: N-(2-methylphenyl)-4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethoxy]benzenesulfonamide Traditional Name: 4-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethoxy]-N-(o-tolyl)benzenesulfonamide Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H25N3O4S/c1-16-5-3-4-6-19(16)21-28(25,26)18-9-7-17(8-10-18)27-15-20(24)23-13-11-22(2)12-14-23/h3-10,21H,11-15H2,1-2H3/p+1