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

Systemtic Name: 2-methyl-3-oxidanylidene-1-[4-(2-pyridin-4-ylethoxy)phenyl]sulfonyl-piperidine-2-carboxylic acid Openeye Name: 2-methyl-3-oxo-1-[4-[2-(4-pyridyl)ethoxy]phenyl]sulfonyl-piperidine-2-carboxylic acid CAS Name: 2-methyl-3-oxo-1-[4-(2-pyridin-4-ylethoxy)phenyl]sulfonyl-2-piperidinecarboxylic acid IUPAC Name: 2-methyl-3-oxo-1-[4-(2-pyridin-4-ylethoxy)phenyl]sulfonylpiperidine-2-carboxylic acid Traditional Name: 3-keto-2-methyl-1-[4-[2-(4-pyridyl)ethoxy]phenyl]sulfonyl-pipecolinic acid Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)CCCN1S(=O)(=O)C2=CC=C(C=C2)OCCC3=CC=NC=C3)C(=O)O

Isomeric SMILES

CC1(C(=O)CCCN1S(=O)(=O)C2=CC=C(C=C2)OCCC3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C20H22N2O6S/c1-20(19(24)25)18(23)3-2-13-22(20)29(26,27)17-6-4-16(5-7-17)28-14-10-15-8-11-21-12-9-15/h4-9,11-12H,2-3,10,13-14H2,1H3,(H,24,25)