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

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]benzenesulfonamide CAS Name: N-(5-chloro-2-methylphenyl)-N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]benzenesulfonamide IUPAC Name: N-(5-chloro-2-methylphenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]benzenesulfonamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzenesulfonamide Formula: C20H25ClN3O3S+ MolecularWeight: 422.9488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N(CC(=O)N2CC[NH+](CC2)C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N(CC(=O)N2CC[NH+](CC2)C)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H24ClN3O3S/c1-16-8-9-17(21)14-19(16)24(28(26,27)18-6-4-3-5-7-18)15-20(25)23-12-10-22(2)11-13-23/h3-9,14H,10-13,15H2,1-2H3/p+1