4-methoxy-3-(pyridin-2-ylmethylsulfonyl)benzoic acid

Systemtic Name: 4-methoxy-3-(pyridin-2-ylmethylsulfonyl)benzoic acid Openeye Name: 4-methoxy-3-(2-pyridylmethylsulfonyl)benzoic acid CAS Name: 4-methoxy-3-(2-pyridinylmethylsulfonyl)benzoic acid IUPAC Name: 4-methoxy-3-(pyridin-2-ylmethylsulfonyl)benzoic acid Traditional Name: 4-methoxy-3-(2-pyridylmethylsulfonyl)benzoic acid Formula: C14H13NO5S MolecularWeight: 307.32172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=CC=CC=N2

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=CC=CC=N2

InChI

InChI=1S/C14H13NO5S/c1-20-12-6-5-10(14(16)17)8-13(12)21(18,19)9-11-4-2-3-7-15-11/h2-8H,9H2,1H3,(H,16,17)