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

Systemtic Name: 3-methyl-3-oxidanyl-1-[4-(2-pyridin-4-ylethoxy)phenyl]sulfonyl-piperidine-2-carboxylic acid Openeye Name: 3-hydroxy-3-methyl-1-[4-[2-(4-pyridyl)ethoxy]phenyl]sulfonyl-piperidine-2-carboxylic acid CAS Name: 3-hydroxy-3-methyl-1-[4-(2-pyridin-4-ylethoxy)phenyl]sulfonyl-2-piperidinecarboxylic acid IUPAC Name: 3-hydroxy-3-methyl-1-[4-(2-pyridin-4-ylethoxy)phenyl]sulfonylpiperidine-2-carboxylic acid Traditional Name: 3-hydroxy-3-methyl-1-[4-[2-(4-pyridyl)ethoxy]phenyl]sulfonyl-pipecolinic acid Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCCC3=CC=NC=C3)O

Isomeric SMILES

CC1(CCCN(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCCC3=CC=NC=C3)O

InChI

InChI=1S/C20H24N2O6S/c1-20(25)10-2-13-22(18(20)19(23)24)29(26,27)17-5-3-16(4-6-17)28-14-9-15-7-11-21-12-8-15/h3-8,11-12,18,25H,2,9-10,13-14H2,1H3,(H,23,24)