[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-keto-2-(4-tosylpiperazino)ethyl] ester Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C19H21N3O6S/c1-15-5-7-16(8-6-15)29(26,27)21-12-10-20(11-13-21)18(23)14-28-19(24)17-4-2-3-9-22(17)25/h2-9H,10-14H2,1H3