2-methyl-5-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: 2-methyl-5-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 2-methyl-5-[4-(o-tolylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: 2-methyl-5-[[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]benzenesulfonamide IUPAC Name: 2-methyl-5-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: 2-methyl-5-[4-(2-methylbenzyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C20H26N3O3S+ MolecularWeight: 388.50374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3C)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3C)S(=O)(=O)N

InChI

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