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

Systemtic Name: 3-oxidanyl-1-[4-(pyridin-4-ylmethoxy)phenyl]sulfonyl-piperidine-2-carboxylic acid Openeye Name: 3-hydroxy-1-[4-(4-pyridylmethoxy)phenyl]sulfonyl-piperidine-2-carboxylic acid CAS Name: 3-hydroxy-1-[4-(pyridin-4-ylmethoxy)phenyl]sulfonyl-2-piperidinecarboxylic acid IUPAC Name: 3-hydroxy-1-[4-(pyridin-4-ylmethoxy)phenyl]sulfonylpiperidine-2-carboxylic acid Traditional Name: 3-hydroxy-1-[4-(4-pyridylmethoxy)phenyl]sulfonyl-pipecolinic acid Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(N(C1)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=NC=C3)C(=O)O)O

Isomeric SMILES

C1CC(C(N(C1)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=NC=C3)C(=O)O)O

InChI

InChI=1S/C18H20N2O6S/c21-16-2-1-11-20(17(16)18(22)23)27(24,25)15-5-3-14(4-6-15)26-12-13-7-9-19-10-8-13/h3-10,16-17,21H,1-2,11-12H2,(H,22,23)