3-[methyl-(4-pyridin-4-yloxyphenyl)sulfonyl-amino]-8-oxabicyclo[3.2.1]octane-3-carboxylic acid

Systemtic Name: 3-[methyl-(4-pyridin-4-yloxyphenyl)sulfonyl-amino]-8-oxabicyclo[3.2.1]octane-3-carboxylic acid Openeye Name: 3-[methyl-[4-(4-pyridyloxy)phenyl]sulfonyl-amino]-8-oxabicyclo[3.2.1]octane-3-carboxylic acid CAS Name: 3-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-8-oxabicyclo[3.2.1]octane-3-carboxylic acid IUPAC Name: 3-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-8-oxabicyclo[3.2.1]octane-3-carboxylic acid Traditional Name: 3-[methyl-[4-(4-pyridyloxy)phenyl]sulfonyl-amino]-8-oxabicyclo[3.2.1]octane-3-carboxylic acid Formula: C20H22N2O6S MolecularWeight: 418.46348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1(CC2CCC(C1)O2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=NC=C4

Isomeric SMILES

CN(C1(CC2CCC(C1)O2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=NC=C4

InChI

InChI=1S/C20H22N2O6S/c1-22(20(19(23)24)12-16-2-3-17(13-20)28-16)29(25,26)18-6-4-14(5-7-18)27-15-8-10-21-11-9-15/h4-11,16-17H,2-3,12-13H2,1H3,(H,23,24)