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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=NC=C3)O

Isomeric SMILES

CC1(CCCN(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=NC=C3)O

InChI

InChI=1S/C19H22N2O6S/c1-19(24)9-2-12-21(17(19)18(22)23)28(25,26)16-5-3-15(4-6-16)27-13-14-7-10-20-11-8-14/h3-8,10-11,17,24H,2,9,12-13H2,1H3,(H,22,23)