2-chloranyl-N-(2-methylphenyl)-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: 2-chloranyl-N-(2-methylphenyl)-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 5-(4-benzylpiperazin-4-ium-1-carbonyl)-2-chloro-N-(o-tolyl)benzenesulfonamide CAS Name: 2-chloro-N-(2-methylphenyl)-5-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-carbonyl)-2-chloro-N-(2-methylphenyl)benzenesulfonamide Traditional Name: 5-(4-benzylpiperazin-4-ium-1-carbonyl)-2-chloro-N-(o-tolyl)benzenesulfonamide Formula: C25H27ClN3O3S+ MolecularWeight: 485.01818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C25H26ClN3O3S/c1-19-7-5-6-10-23(19)27-33(31,32)24-17-21(11-12-22(24)26)25(30)29-15-13-28(14-16-29)18-20-8-3-2-4-9-20/h2-12,17,27H,13-16,18H2,1H3/p+1