1-[4-[(3-chlorophenyl)methoxy]phenyl]sulfonyl-3-oxidanyl-piperidine-3-carboxylic acid

Systemtic Name: 1-[4-[(3-chlorophenyl)methoxy]phenyl]sulfonyl-3-oxidanyl-piperidine-3-carboxylic acid Openeye Name: 1-[4-[(3-chlorophenyl)methoxy]phenyl]sulfonyl-3-hydroxy-piperidine-3-carboxylic acid CAS Name: 1-[4-[(3-chlorophenyl)methoxy]phenyl]sulfonyl-3-hydroxy-3-piperidinecarboxylic acid IUPAC Name: 1-[4-[(3-chlorophenyl)methoxy]phenyl]sulfonyl-3-hydroxypiperidine-3-carboxylic acid Traditional Name: 1-[4-(3-chlorobenzyl)oxyphenyl]sulfonyl-3-hydroxy-nipecotic acid Formula: C19H20ClNO6S MolecularWeight: 425.8832

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC(=CC=C3)Cl)(C(=O)O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC(=CC=C3)Cl)(C(=O)O)O

InChI

InChI=1S/C19H20ClNO6S/c20-15-4-1-3-14(11-15)12-27-16-5-7-17(8-6-16)28(25,26)21-10-2-9-19(24,13-21)18(22)23/h1,3-8,11,24H,2,9-10,12-13H2,(H,22,23)