N-(4-methylphenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-4-methylsulfanyl-benzenesulfonamide

Systemtic Name: N-(4-methylphenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-4-methylsulfanyl-benzenesulfonamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-4-methylsulfanyl-N-(p-tolyl)benzenesulfonamide CAS Name: N-(4-methylphenyl)-N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-4-(methylthio)benzenesulfonamide IUPAC Name: N-(4-methylphenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-methylsulfanylbenzenesulfonamide Traditional Name: N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-(methylthio)-N-(p-tolyl)benzenesulfonamide Formula: C21H28N3O3S2+ MolecularWeight: 434.59532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S2/c1-17-4-6-18(7-5-17)24(16-21(25)23-14-12-22(2)13-15-23)29(26,27)20-10-8-19(28-3)9-11-20/h4-11H,12-16H2,1-3H3/p+1