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

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]benzenesulfonamide CAS Name: N-(5-chloro-2-methylphenyl)-4-methyl-N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]benzenesulfonamide IUPAC Name: N-(5-chloro-2-methylphenyl)-4-methyl-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]-4-methyl-benzenesulfonamide Formula: C21H27ClN3O3S+ MolecularWeight: 436.97538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O3S/c1-16-4-8-19(9-5-16)29(27,28)25(20-14-18(22)7-6-17(20)2)15-21(26)24-12-10-23(3)11-13-24/h4-9,14H,10-13,15H2,1-3H3/p+1