2-chloranyl-N-(3-methylphenyl)-5-(4-methylpiperazin-4-ium-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: 2-chloranyl-N-(3-methylphenyl)-5-(4-methylpiperazin-4-ium-1-yl)carbonyl-benzenesulfonamide Openeye Name: 2-chloro-5-(4-methylpiperazin-4-ium-1-carbonyl)-N-(m-tolyl)benzenesulfonamide CAS Name: 2-chloro-N-(3-methylphenyl)-5-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]benzenesulfonamide IUPAC Name: 2-chloro-N-(3-methylphenyl)-5-(4-methylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Traditional Name: 2-chloro-5-(4-methylpiperazin-4-ium-1-carbonyl)-N-(m-tolyl)benzenesulfonamide Formula: C19H23ClN3O3S+ MolecularWeight: 408.92222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O3S/c1-14-4-3-5-16(12-14)21-27(25,26)18-13-15(6-7-17(18)20)19(24)23-10-8-22(2)9-11-23/h3-7,12-13,21H,8-11H2,1-2H3/p+1