4-(pyridin-4-ylmethylsulfonyl)benzoic acid

Systemtic Name: 4-(pyridin-4-ylmethylsulfonyl)benzoic acid Openeye Name: 4-(4-pyridylmethylsulfonyl)benzoic acid CAS Name: 4-(pyridin-4-ylmethylsulfonyl)benzoic acid IUPAC Name: 4-(pyridin-4-ylmethylsulfonyl)benzoic acid Traditional Name: 4-(4-pyridylmethylsulfonyl)benzoic acid Formula: C13H11NO4S MolecularWeight: 277.29574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)S(=O)(=O)CC2=CC=NC=C2

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)S(=O)(=O)CC2=CC=NC=C2

InChI

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