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

Systemtic Name: N-[(2,4-dichlorophenyl)methyl]-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: N-[(2,4-dichlorophenyl)methyl]-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]benzenesulfonamide CAS Name: N-[(2,4-dichlorophenyl)methyl]-4-methyl-N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]benzenesulfonamide IUPAC Name: N-[(2,4-dichlorophenyl)methyl]-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]benzenesulfonamide Traditional Name: N-(2,4-dichlorobenzyl)-N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-methyl-benzenesulfonamide Formula: C21H26Cl2N3O3S+ MolecularWeight: 471.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=C(C=C(C=C2)Cl)Cl)CC(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=C(C=C(C=C2)Cl)Cl)CC(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C21H25Cl2N3O3S/c1-16-3-7-19(8-4-16)30(28,29)26(14-17-5-6-18(22)13-20(17)23)15-21(27)25-11-9-24(2)10-12-25/h3-8,13H,9-12,14-15H2,1-2H3/p+1