5-chloranyl-6-[(4-methylsulfonylphenyl)amino]pyridine-3-carboxylate

Systemtic Name: 5-chloranyl-6-[(4-methylsulfonylphenyl)amino]pyridine-3-carboxylate Openeye Name: 5-chloro-6-(4-methylsulfonylanilino)pyridine-3-carboxylate CAS Name: 5-chloro-6-(4-methylsulfonylanilino)-3-pyridinecarboxylate IUPAC Name: 5-chloro-6-(4-methylsulfonylanilino)pyridine-3-carboxylate Traditional Name: 5-chloro-6-(4-mesylanilino)nicotinate Formula: C13H10ClN2O4S- MolecularWeight: 325.7475

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC2=C(C=C(C=N2)C(=O)[O-])Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC2=C(C=C(C=N2)C(=O)[O-])Cl

InChI

InChI=1S/C13H11ClN2O4S/c1-21(19,20)10-4-2-9(3-5-10)16-12-11(14)6-8(7-15-12)13(17)18/h2-7H,1H3,(H,15,16)(H,17,18)/p-1