N-(2,3-dimethylphenyl)-2-methyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-methyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 5-(4-benzylpiperazin-4-ium-1-carbonyl)-N-(2,3-dimethylphenyl)-2-methyl-benzenesulfonamide CAS Name: N-(2,3-dimethylphenyl)-2-methyl-5-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-carbonyl)-N-(2,3-dimethylphenyl)-2-methylbenzenesulfonamide Traditional Name: 5-(4-benzylpiperazin-4-ium-1-carbonyl)-N-(2,3-dimethylphenyl)-2-methyl-benzenesulfonamide Formula: C27H32N3O3S+ MolecularWeight: 478.62628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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