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

Systemtic Name: 3-methyl-4-[4-(pyridin-4-ylmethoxy)phenyl]sulfonyl-morpholine-3-carboxylic acid Openeye Name: 3-methyl-4-[4-(4-pyridylmethoxy)phenyl]sulfonyl-morpholine-3-carboxylic acid CAS Name: 3-methyl-4-[4-(pyridin-4-ylmethoxy)phenyl]sulfonyl-3-morpholinecarboxylic acid IUPAC Name: 3-methyl-4-[4-(pyridin-4-ylmethoxy)phenyl]sulfonylmorpholine-3-carboxylic acid Traditional Name: 3-methyl-4-[4-(4-pyridylmethoxy)phenyl]sulfonyl-morpholine-3-carboxylic acid Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COCCN1S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=NC=C3)C(=O)O

Isomeric SMILES

CC1(COCCN1S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C18H20N2O6S/c1-18(17(21)22)13-25-11-10-20(18)27(23,24)16-4-2-15(3-5-16)26-12-14-6-8-19-9-7-14/h2-9H,10-13H2,1H3,(H,21,22)