2-chloranyl-N-[4-[4-(3-methylphenyl)piperazin-1-ium-1-yl]butyl]benzenesulfonamide

Systemtic Name: 2-chloranyl-N-[4-[4-(3-methylphenyl)piperazin-1-ium-1-yl]butyl]benzenesulfonamide Openeye Name: 2-chloro-N-[4-[4-(m-tolyl)piperazin-1-ium-1-yl]butyl]benzenesulfonamide CAS Name: 2-chloro-N-[4-[4-(3-methylphenyl)-1-piperazin-1-iumyl]butyl]benzenesulfonamide IUPAC Name: 2-chloro-N-[4-[4-(3-methylphenyl)piperazin-1-ium-1-yl]butyl]benzenesulfonamide Traditional Name: 2-chloro-N-[4-[4-(m-tolyl)piperazin-1-ium-1-yl]butyl]benzenesulfonamide Formula: C21H29ClN3O2S+ MolecularWeight: 422.99186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCCCNS(=O)(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCCCNS(=O)(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H28ClN3O2S/c1-18-7-6-8-19(17-18)25-15-13-24(14-16-25)12-5-4-11-23-28(26,27)21-10-3-2-9-20(21)22/h2-3,6-10,17,23H,4-5,11-16H2,1H3/p+1