2-cyano-5-methylsulfonyl-4-pyridin-3-yloxy-benzoic acid

Systemtic Name: 2-cyano-5-methylsulfonyl-4-pyridin-3-yloxy-benzoic acid Openeye Name: 2-cyano-5-methylsulfonyl-4-(3-pyridyloxy)benzoic acid CAS Name: 2-cyano-5-methylsulfonyl-4-(3-pyridinyloxy)benzoic acid IUPAC Name: 2-cyano-5-methylsulfonyl-4-pyridin-3-yloxybenzoic acid Traditional Name: 2-cyano-5-mesyl-4-(3-pyridyloxy)benzoic acid Formula: C14H10N2O5S MolecularWeight: 318.3046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)C#N)OC2=CN=CC=C2

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)C#N)OC2=CN=CC=C2

InChI

InChI=1S/C14H10N2O5S/c1-22(19,20)13-6-11(14(17)18)9(7-15)5-12(13)21-10-3-2-4-16-8-10/h2-6,8H,1H3,(H,17,18)