3-methylsulfonyl-4-pyrimidin-4-yloxy-benzoic acid

Systemtic Name: 3-methylsulfonyl-4-pyrimidin-4-yloxy-benzoic acid Openeye Name: 3-methylsulfonyl-4-pyrimidin-4-yloxy-benzoic acid CAS Name: 3-methylsulfonyl-4-(4-pyrimidinyloxy)benzoic acid IUPAC Name: 3-methylsulfonyl-4-pyrimidin-4-yloxybenzoic acid Traditional Name: 3-mesyl-4-(4-pyrimidyloxy)benzoic acid Formula: C12H10N2O5S MolecularWeight: 294.2832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)OC2=NC=NC=C2

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)OC2=NC=NC=C2

InChI

InChI=1S/C12H10N2O5S/c1-20(17,18)10-6-8(12(15)16)2-3-9(10)19-11-4-5-13-7-14-11/h2-7H,1H3,(H,15,16)