N-(4-methylphenyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(4-methylphenyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)-N-(p-tolyl)benzenesulfonamide CAS Name: N-(4-methylphenyl)-4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide Traditional Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)-N-(p-tolyl)benzenesulfonamide Formula: C25H28N3O3S+ MolecularWeight: 450.57312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O3S/c1-20-7-11-23(12-8-20)26-32(30,31)24-13-9-22(10-14-24)25(29)28-17-15-27(16-18-28)19-21-5-3-2-4-6-21/h2-14,26H,15-19H2,1H3/p+1