N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[5-chloro-2-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-methylbenzenesulfonamide Traditional Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-methyl-benzenesulfonamide Formula: C18H23ClN3O2S+ MolecularWeight: 380.91212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)Cl)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)Cl)N3CC[NH+](CC3)C

InChI

InChI=1S/C18H22ClN3O2S/c1-14-3-6-16(7-4-14)25(23,24)20-17-13-15(19)5-8-18(17)22-11-9-21(2)10-12-22/h3-8,13,20H,9-12H2,1-2H3/p+1