[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] pyridine-3-carboxylate

Systemtic Name: [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic 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=CN=CC=C3

Isomeric SMILES

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

InChI

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