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

Systemtic Name: N-(2-ethylphenyl)-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: N-(2-ethylphenyl)-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]benzenesulfonamide CAS Name: N-(2-ethylphenyl)-4-methyl-N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]benzenesulfonamide IUPAC Name: N-(2-ethylphenyl)-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]benzenesulfonamide Traditional Name: N-(2-ethylphenyl)-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:

CCC1=CC=CC=C1N(CC(=O)N2CC[NH+](CC2)C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC=CC=C1N(CC(=O)N2CC[NH+](CC2)C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

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