2-methyl-3-oxidanylidene-1-[4-(pyridin-4-ylmethoxy)phenyl]sulfonyl-piperidine-2-carboxylic acid

Systemtic Name: 2-methyl-3-oxidanylidene-1-[4-(pyridin-4-ylmethoxy)phenyl]sulfonyl-piperidine-2-carboxylic acid Openeye Name: 2-methyl-3-oxo-1-[4-(4-pyridylmethoxy)phenyl]sulfonyl-piperidine-2-carboxylic acid CAS Name: 2-methyl-3-oxo-1-[4-(pyridin-4-ylmethoxy)phenyl]sulfonyl-2-piperidinecarboxylic acid IUPAC Name: 2-methyl-3-oxo-1-[4-(pyridin-4-ylmethoxy)phenyl]sulfonylpiperidine-2-carboxylic acid Traditional Name: 3-keto-2-methyl-1-[4-(4-pyridylmethoxy)phenyl]sulfonyl-pipecolinic acid Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)CCCN1S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=NC=C3)C(=O)O

Isomeric SMILES

CC1(C(=O)CCCN1S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C19H20N2O6S/c1-19(18(23)24)17(22)3-2-12-21(19)28(25,26)16-6-4-15(5-7-16)27-13-14-8-10-20-11-9-14/h4-11H,2-3,12-13H2,1H3,(H,23,24)