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

Systemtic Name: [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-keto-2-(4-tosylpiperazino)ethyl] ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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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=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3=CC=NC=C3

InChI

InChI=1S/C19H21N3O5S/c1-15-2-4-17(5-3-15)28(25,26)22-12-10-21(11-13-22)18(23)14-27-19(24)16-6-8-20-9-7-16/h2-9H,10-14H2,1H3