2,2-dimethyl-4-[4-(2-pyridin-4-ylethoxy)phenyl]sulfonyl-morpholine-3-carboxylic acid

Systemtic Name: 2,2-dimethyl-4-[4-(2-pyridin-4-ylethoxy)phenyl]sulfonyl-morpholine-3-carboxylic acid Openeye Name: 2,2-dimethyl-4-[4-[2-(4-pyridyl)ethoxy]phenyl]sulfonyl-morpholine-3-carboxylic acid CAS Name: 2,2-dimethyl-4-[4-(2-pyridin-4-ylethoxy)phenyl]sulfonyl-3-morpholinecarboxylic acid IUPAC Name: 2,2-dimethyl-4-[4-(2-pyridin-4-ylethoxy)phenyl]sulfonylmorpholine-3-carboxylic acid Traditional Name: 2,2-dimethyl-4-[4-[2-(4-pyridyl)ethoxy]phenyl]sulfonyl-morpholine-3-carboxylic acid Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCO1)S(=O)(=O)C2=CC=C(C=C2)OCCC3=CC=NC=C3)C(=O)O)C

Isomeric SMILES

CC1(C(N(CCO1)S(=O)(=O)C2=CC=C(C=C2)OCCC3=CC=NC=C3)C(=O)O)C

InChI

InChI=1S/C20H24N2O6S/c1-20(2)18(19(23)24)22(12-14-28-20)29(25,26)17-5-3-16(4-6-17)27-13-9-15-7-10-21-11-8-15/h3-8,10-11,18H,9,12-14H2,1-2H3,(H,23,24)