2,2-dimethyl-4-[4-(pyridin-4-ylmethoxy)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 2,2-dimethyl-4-[4-(pyridin-4-ylmethoxy)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 2,2-dimethyl-4-[4-(4-pyridylmethoxy)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: 2,2-dimethyl-4-[4-(pyridin-4-ylmethoxy)phenyl]sulfonyl-3-thiomorpholinecarboxylic acid IUPAC Name: 2,2-dimethyl-4-[4-(pyridin-4-ylmethoxy)phenyl]sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 2,2-dimethyl-4-[4-(4-pyridylmethoxy)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=NC=C3)C(=O)O)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=NC=C3)C(=O)O)C

InChI

InChI=1S/C19H22N2O5S2/c1-19(2)17(18(22)23)21(11-12-27-19)28(24,25)16-5-3-15(4-6-16)26-13-14-7-9-20-10-8-14/h3-10,17H,11-13H2,1-2H3,(H,22,23)