2-[(4-methylsulfonylphenyl)amino]pyridine-3-carboxylic acid

Systemtic Name: 2-[(4-methylsulfonylphenyl)amino]pyridine-3-carboxylic acid Openeye Name: 2-(4-methylsulfonylanilino)pyridine-3-carboxylic acid CAS Name: 2-(4-methylsulfonylanilino)-3-pyridinecarboxylic acid IUPAC Name: 2-(4-methylsulfonylanilino)pyridine-3-carboxylic acid Traditional Name: 2-(4-mesylanilino)nicotinic acid Formula: C13H12N2O4S MolecularWeight: 292.31038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C13H12N2O4S/c1-20(18,19)10-6-4-9(5-7-10)15-12-11(13(16)17)3-2-8-14-12/h2-8H,1H3,(H,14,15)(H,16,17)