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

Systemtic Name: N-(2-methylphenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-(o-tolyl)benzenesulfonamide CAS Name: N-(2-methylphenyl)-N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]benzenesulfonamide IUPAC Name: N-(2-methylphenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]benzenesulfonamide Traditional Name: N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-N-(o-tolyl)benzenesulfonamide Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)N2CC[NH+](CC2)C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)N2CC[NH+](CC2)C)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3S/c1-17-8-6-7-11-19(17)23(27(25,26)18-9-4-3-5-10-18)16-20(24)22-14-12-21(2)13-15-22/h3-11H,12-16H2,1-2H3/p+1