2-[4-(2-pyridin-4-ylethoxycarbonyl)phenyl]sulfonylethanoic acid

Systemtic Name: 2-[4-(2-pyridin-4-ylethoxycarbonyl)phenyl]sulfonylethanoic acid Openeye Name: 2-[4-[2-(4-pyridyl)ethoxycarbonyl]phenyl]sulfonylacetic acid CAS Name: 2-[4-[oxo(2-pyridin-4-ylethoxy)methyl]phenyl]sulfonylacetic acid IUPAC Name: 2-[4-(2-pyridin-4-ylethoxycarbonyl)phenyl]sulfonylacetic acid Traditional Name: 2-[4-[2-(4-pyridyl)ethoxycarbonyl]phenyl]sulfonylacetic acid Formula: C16H15NO6S MolecularWeight: 349.3584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCCC2=CC=NC=C2)S(=O)(=O)CC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCCC2=CC=NC=C2)S(=O)(=O)CC(=O)O

InChI

InChI=1S/C16H15NO6S/c18-15(19)11-24(21,22)14-3-1-13(2-4-14)16(20)23-10-7-12-5-8-17-9-6-12/h1-6,8-9H,7,10-11H2,(H,18,19)