3-(pyridin-2-ylmethylsulfonyl)benzoic acid

Systemtic Name: 3-(pyridin-2-ylmethylsulfonyl)benzoic acid Openeye Name: 3-(2-pyridylmethylsulfonyl)benzoic acid CAS Name: 3-(2-pyridinylmethylsulfonyl)benzoic acid IUPAC Name: 3-(pyridin-2-ylmethylsulfonyl)benzoic acid Traditional Name: 3-(2-pyridylmethylsulfonyl)benzoic acid Formula: C13H11NO4S MolecularWeight: 277.29574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11NO4S/c15-13(16)10-4-3-6-12(8-10)19(17,18)9-11-5-1-2-7-14-11/h1-8H,9H2,(H,15,16)