N-[(3,4-dichlorophenyl)methyl]-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]benzenesulfonamide

Systemtic Name: N-[(3,4-dichlorophenyl)methyl]-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: N-[(3,4-dichlorophenyl)methyl]-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]benzenesulfonamide CAS Name: N-[(3,4-dichlorophenyl)methyl]-N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]benzenesulfonamide IUPAC Name: N-[(3,4-dichlorophenyl)methyl]-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]benzenesulfonamide Traditional Name: N-(3,4-dichlorobenzyl)-N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzenesulfonamide Formula: C20H24Cl2N3O3S+ MolecularWeight: 457.39386

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CN(CC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CN(CC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H23Cl2N3O3S/c1-23-9-11-24(12-10-23)20(26)15-25(14-16-7-8-18(21)19(22)13-16)29(27,28)17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3/p+1