[2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 6-methylpyridine-3-carboxylate

Systemtic Name: [2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 6-methylpyridine-3-carboxylate Openeye Name: [2-(2-methylsulfonylanilino)-2-oxo-ethyl] 6-methylpyridine-3-carboxylate CAS Name: 6-methyl-3-pyridinecarboxylic acid [2-(2-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfonylanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate Traditional Name: 6-methylnicotinic acid [2-keto-2-(2-mesylanilino)ethyl] ester Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C16H16N2O5S/c1-11-7-8-12(9-17-11)16(20)23-10-15(19)18-13-5-3-4-6-14(13)24(2,21)22/h3-9H,10H2,1-2H3,(H,18,19)