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

Systemtic Name: 3-oxidanyl-1-[4-(2-pyridin-4-ylethoxy)phenyl]sulfonyl-piperidine-2-carboxylic acid Openeye Name: 3-hydroxy-1-[4-[2-(4-pyridyl)ethoxy]phenyl]sulfonyl-piperidine-2-carboxylic acid CAS Name: 3-hydroxy-1-[4-(2-pyridin-4-ylethoxy)phenyl]sulfonyl-2-piperidinecarboxylic acid IUPAC Name: 3-hydroxy-1-[4-(2-pyridin-4-ylethoxy)phenyl]sulfonylpiperidine-2-carboxylic acid Traditional Name: 3-hydroxy-1-[4-[2-(4-pyridyl)ethoxy]phenyl]sulfonyl-pipecolinic acid Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(N(C1)S(=O)(=O)C2=CC=C(C=C2)OCCC3=CC=NC=C3)C(=O)O)O

Isomeric SMILES

C1CC(C(N(C1)S(=O)(=O)C2=CC=C(C=C2)OCCC3=CC=NC=C3)C(=O)O)O

InChI

InChI=1S/C19H22N2O6S/c22-17-2-1-12-21(18(17)19(23)24)28(25,26)16-5-3-15(4-6-16)27-13-9-14-7-10-20-11-8-14/h3-8,10-11,17-18,22H,1-2,9,12-13H2,(H,23,24)