3-[(4-pyridin-4-yloxyphenyl)sulfonylmethyl]-8-oxabicyclo[3.2.1]octane-3-carboxylic acid

Systemtic Name: 3-[(4-pyridin-4-yloxyphenyl)sulfonylmethyl]-8-oxabicyclo[3.2.1]octane-3-carboxylic acid Openeye Name: 3-[[4-(4-pyridyloxy)phenyl]sulfonylmethyl]-8-oxabicyclo[3.2.1]octane-3-carboxylic acid CAS Name: 3-[(4-pyridin-4-yloxyphenyl)sulfonylmethyl]-8-oxabicyclo[3.2.1]octane-3-carboxylic acid IUPAC Name: 3-[(4-pyridin-4-yloxyphenyl)sulfonylmethyl]-8-oxabicyclo[3.2.1]octane-3-carboxylic acid Traditional Name: 3-[[4-(4-pyridyloxy)phenyl]sulfonylmethyl]-8-oxabicyclo[3.2.1]octane-3-carboxylic acid Formula: C20H21NO6S MolecularWeight: 403.44884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC1O2)(CS(=O)(=O)C3=CC=C(C=C3)OC4=CC=NC=C4)C(=O)O

Isomeric SMILES

C1CC2CC(CC1O2)(CS(=O)(=O)C3=CC=C(C=C3)OC4=CC=NC=C4)C(=O)O

InChI

InChI=1S/C20H21NO6S/c22-19(23)20(11-16-1-2-17(12-20)27-16)13-28(24,25)18-5-3-14(4-6-18)26-15-7-9-21-10-8-15/h3-10,16-17H,1-2,11-13H2,(H,22,23)