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

Systemtic Name: 3-methyl-4-[4-(2-pyridin-4-ylethoxy)phenyl]sulfonyl-morpholine-3-carboxylic acid Openeye Name: 3-methyl-4-[4-[2-(4-pyridyl)ethoxy]phenyl]sulfonyl-morpholine-3-carboxylic acid CAS Name: 3-methyl-4-[4-(2-pyridin-4-ylethoxy)phenyl]sulfonyl-3-morpholinecarboxylic acid IUPAC Name: 3-methyl-4-[4-(2-pyridin-4-ylethoxy)phenyl]sulfonylmorpholine-3-carboxylic acid Traditional Name: 3-methyl-4-[4-[2-(4-pyridyl)ethoxy]phenyl]sulfonyl-morpholine-3-carboxylic acid Formula: C19H22N2O6S MolecularWeight: 406.45278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(COCCN1S(=O)(=O)C2=CC=C(C=C2)OCCC3=CC=NC=C3)C(=O)O

Isomeric SMILES

CC1(COCCN1S(=O)(=O)C2=CC=C(C=C2)OCCC3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C19H22N2O6S/c1-19(18(22)23)14-26-13-11-21(19)28(24,25)17-4-2-16(3-5-17)27-12-8-15-6-9-20-10-7-15/h2-7,9-10H,8,11-14H2,1H3,(H,22,23)