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

Systemtic Name: N-(2,5-dimethylphenyl)-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: N-(2,5-dimethylphenyl)-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]benzenesulfonamide CAS Name: N-(2,5-dimethylphenyl)-4-methyl-N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]benzenesulfonamide IUPAC Name: N-(2,5-dimethylphenyl)-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]benzenesulfonamide Traditional Name: N-(2,5-dimethylphenyl)-N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-methyl-benzenesulfonamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-17-6-9-20(10-7-17)29(27,28)25(21-15-18(2)5-8-19(21)3)16-22(26)24-13-11-23(4)12-14-24/h5-10,15H,11-14,16H2,1-4H3/p+1