cyanomethyl 2-[(3-methylsulfonylphenyl)amino]pyridine-3-carboxylate

Systemtic Name: cyanomethyl 2-[(3-methylsulfonylphenyl)amino]pyridine-3-carboxylate Openeye Name: cyanomethyl 2-(3-methylsulfonylanilino)pyridine-3-carboxylate CAS Name: 2-(3-methylsulfonylanilino)-3-pyridinecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-(3-methylsulfonylanilino)pyridine-3-carboxylate Traditional Name: 2-(3-mesylanilino)nicotinic acid cyanomethyl ester Formula: C15H13N3O4S MolecularWeight: 331.34642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC2=C(C=CC=N2)C(=O)OCC#N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC2=C(C=CC=N2)C(=O)OCC#N

InChI

InChI=1S/C15H13N3O4S/c1-23(20,21)12-5-2-4-11(10-12)18-14-13(6-3-8-17-14)15(19)22-9-7-16/h2-6,8,10H,9H2,1H3,(H,17,18)