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

Systemtic Name: 6,6-dimethyl-4-[4-(pyridin-4-ylmethoxy)phenyl]sulfonyl-morpholine-3-carboxylic acid Openeye Name: 6,6-dimethyl-4-[4-(4-pyridylmethoxy)phenyl]sulfonyl-morpholine-3-carboxylic acid CAS Name: 6,6-dimethyl-4-[4-(pyridin-4-ylmethoxy)phenyl]sulfonyl-3-morpholinecarboxylic acid IUPAC Name: 6,6-dimethyl-4-[4-(pyridin-4-ylmethoxy)phenyl]sulfonylmorpholine-3-carboxylic acid Traditional Name: 6,6-dimethyl-4-[4-(4-pyridylmethoxy)phenyl]sulfonyl-morpholine-3-carboxylic acid Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C(CO1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=NC=C3)C

Isomeric SMILES

CC1(CN(C(CO1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=NC=C3)C

InChI

InChI=1S/C19H22N2O6S/c1-19(2)13-21(17(12-27-19)18(22)23)28(24,25)16-5-3-15(4-6-16)26-11-14-7-9-20-10-8-14/h3-10,17H,11-13H2,1-2H3,(H,22,23)