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

Systemtic Name: 4-methyl-N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzenesulfonamide Openeye Name: 4-methyl-N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(p-tolyl)ethyl]benzenesulfonamide CAS Name: 4-methyl-N-[(2R)-2-(4-methylphenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzenesulfonamide Traditional Name: 4-methyl-N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(p-tolyl)ethyl]benzenesulfonamide Formula: C21H30N3O2S+ MolecularWeight: 388.5468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=C(C=C2)C)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNS(=O)(=O)C2=CC=C(C=C2)C)N3CC[NH+](CC3)C

InChI

InChI=1S/C21H29N3O2S/c1-17-4-8-19(9-5-17)21(24-14-12-23(3)13-15-24)16-22-27(25,26)20-10-6-18(2)7-11-20/h4-11,21-22H,12-16H2,1-3H3/p+1/t21-/m0/s1