N-(3,5-dimethylphenyl)-3,4-dimethoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]benzenesulfonamide

Systemtic Name: N-(3,5-dimethylphenyl)-3,4-dimethoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: N-(3,5-dimethylphenyl)-3,4-dimethoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]benzenesulfonamide CAS Name: N-(3,5-dimethylphenyl)-3,4-dimethoxy-N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]benzenesulfonamide IUPAC Name: N-(3,5-dimethylphenyl)-3,4-dimethoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]benzenesulfonamide Traditional Name: N-(3,5-dimethylphenyl)-N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3,4-dimethoxy-benzenesulfonamide Formula: C23H32N3O5S+ MolecularWeight: 462.58228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O5S/c1-17-12-18(2)14-19(13-17)26(16-23(27)25-10-8-24(3)9-11-25)32(28,29)20-6-7-21(30-4)22(15-20)31-5/h6-7,12-15H,8-11,16H2,1-5H3/p+1