3-oxidanyl-4-(4-pyridin-3-ylphenyl)sulfonyl-piperidine-3-carboxylic acid

Systemtic Name: 3-oxidanyl-4-(4-pyridin-3-ylphenyl)sulfonyl-piperidine-3-carboxylic acid Openeye Name: 3-hydroxy-4-[4-(3-pyridyl)phenyl]sulfonyl-piperidine-3-carboxylic acid CAS Name: 3-hydroxy-4-[4-(3-pyridinyl)phenyl]sulfonyl-3-piperidinecarboxylic acid IUPAC Name: 3-hydroxy-4-(4-pyridin-3-ylphenyl)sulfonylpiperidine-3-carboxylic acid Traditional Name: 3-hydroxy-4-[4-(3-pyridyl)phenyl]sulfonyl-nipecotic acid Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C1S(=O)(=O)C2=CC=C(C=C2)C3=CN=CC=C3)(C(=O)O)O

Isomeric SMILES

C1CNCC(C1S(=O)(=O)C2=CC=C(C=C2)C3=CN=CC=C3)(C(=O)O)O

InChI

InChI=1S/C17H18N2O5S/c20-16(21)17(22)11-19-9-7-15(17)25(23,24)14-5-3-12(4-6-14)13-2-1-8-18-10-13/h1-6,8,10,15,19,22H,7,9,11H2,(H,20,21)