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

Systemtic Name: N-(2-ethylphenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-(2-ethylphenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-4-methyl-benzenesulfonamide CAS Name: N-(2-ethylphenyl)-N-[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethyl]-4-methylbenzenesulfonamide IUPAC Name: N-(2-ethylphenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-methylbenzenesulfonamide Traditional Name: N-(2-ethylphenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]-4-methyl-benzenesulfonamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S/c1-4-20-8-6-7-9-22(20)26(30(28,29)21-12-10-19(3)11-13-21)18-23(27)25-16-14-24(5-2)15-17-25/h6-13H,4-5,14-18H2,1-3H3/p+1