2,6,6-trimethyl-4-[4-(pyridin-4-ylmethoxy)phenyl]sulfonyl-morpholine-3-carboxylic acid

Systemtic Name: 2,6,6-trimethyl-4-[4-(pyridin-4-ylmethoxy)phenyl]sulfonyl-morpholine-3-carboxylic acid Openeye Name: 2,6,6-trimethyl-4-[4-(4-pyridylmethoxy)phenyl]sulfonyl-morpholine-3-carboxylic acid CAS Name: 2,6,6-trimethyl-4-[4-(pyridin-4-ylmethoxy)phenyl]sulfonyl-3-morpholinecarboxylic acid IUPAC Name: 2,6,6-trimethyl-4-[4-(pyridin-4-ylmethoxy)phenyl]sulfonylmorpholine-3-carboxylic acid Traditional Name: 2,6,6-trimethyl-4-[4-(4-pyridylmethoxy)phenyl]sulfonyl-morpholine-3-carboxylic acid Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CC(O1)(C)C)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=NC=C3)C(=O)O

Isomeric SMILES

CC1C(N(CC(O1)(C)C)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C20H24N2O6S/c1-14-18(19(23)24)22(13-20(2,3)28-14)29(25,26)17-6-4-16(5-7-17)27-12-15-8-10-21-11-9-15/h4-11,14,18H,12-13H2,1-3H3,(H,23,24)