[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2-chloranylpyridine-4-carboxylate

Systemtic Name: [2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2-chloranylpyridine-4-carboxylate Openeye Name: [2-(4-methylsulfonylanilino)-2-oxo-ethyl] 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-4-pyridinecarboxylic acid [2-(4-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylanilino)-2-oxoethyl] 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid [2-keto-2-(4-mesylanilino)ethyl] ester Formula: C15H13ClN2O5S MolecularWeight: 368.79212

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=NC=C2)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=NC=C2)Cl

InChI

InChI=1S/C15H13ClN2O5S/c1-24(21,22)12-4-2-11(3-5-12)18-14(19)9-23-15(20)10-6-7-17-13(16)8-10/h2-8H,9H2,1H3,(H,18,19)