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

Systemtic Name: 3,4-dimethoxy-N-(4-methylphenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: 3,4-dimethoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-(p-tolyl)benzenesulfonamide CAS Name: 3,4-dimethoxy-N-(4-methylphenyl)-N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]benzenesulfonamide IUPAC Name: 3,4-dimethoxy-N-(4-methylphenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]benzenesulfonamide Traditional Name: N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3,4-dimethoxy-N-(p-tolyl)benzenesulfonamide Formula: C22H30N3O5S+ MolecularWeight: 448.5557

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O5S/c1-17-5-7-18(8-6-17)25(16-22(26)24-13-11-23(2)12-14-24)31(27,28)19-9-10-20(29-3)21(15-19)30-4/h5-10,15H,11-14,16H2,1-4H3/p+1