N-(2,4-dimethylphenyl)-2-methyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(2,4-dimethylphenyl)-2-methyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 5-(4-benzylpiperazin-4-ium-1-carbonyl)-N-(2,4-dimethylphenyl)-2-methyl-benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-2-methyl-5-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-carbonyl)-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide Traditional Name: 5-(4-benzylpiperazin-4-ium-1-carbonyl)-N-(2,4-dimethylphenyl)-2-methyl-benzenesulfonamide Formula: C27H32N3O3S+ MolecularWeight: 478.62628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C)C

InChI

InChI=1S/C27H31N3O3S/c1-20-9-12-25(22(3)17-20)28-34(32,33)26-18-24(11-10-21(26)2)27(31)30-15-13-29(14-16-30)19-23-7-5-4-6-8-23/h4-12,17-18,28H,13-16,19H2,1-3H3/p+1