2-oxidanyl-5-(2-pyridin-4-ylethylsulfonyl)benzoic acid

Systemtic Name: 2-oxidanyl-5-(2-pyridin-4-ylethylsulfonyl)benzoic acid Openeye Name: 2-hydroxy-5-[2-(4-pyridyl)ethylsulfonyl]benzoic acid CAS Name: 2-hydroxy-5-(2-pyridin-4-ylethylsulfonyl)benzoic acid IUPAC Name: 2-hydroxy-5-(2-pyridin-4-ylethylsulfonyl)benzoic acid Traditional Name: 2-hydroxy-5-[2-(4-pyridyl)ethylsulfonyl]benzoic acid Formula: C14H13NO5S MolecularWeight: 307.32172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)CCC2=CC=NC=C2)C(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)CCC2=CC=NC=C2)C(=O)O)O

InChI

InChI=1S/C14H13NO5S/c16-13-2-1-11(9-12(13)14(17)18)21(19,20)8-5-10-3-6-15-7-4-10/h1-4,6-7,9,16H,5,8H2,(H,17,18)