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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O3S/c1-17-3-5-18(6-4-17)15-25(16-21(26)24-13-11-23(2)12-14-24)29(27,28)20-9-7-19(22)8-10-20/h3-10H,11-16H2,1-2H3/p+1