1-[4-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]phenyl]sulfonyl-2,2-dimethyl-3-oxidanyl-piperidine-3-carboxylic acid

Systemtic Name: 1-[4-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]phenyl]sulfonyl-2,2-dimethyl-3-oxidanyl-piperidine-3-carboxylic acid Openeye Name: 1-[4-[(2-chloro-4-fluoro-phenyl)methoxy]phenyl]sulfonyl-3-hydroxy-2,2-dimethyl-piperidine-3-carboxylic acid CAS Name: 1-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonyl-3-hydroxy-2,2-dimethyl-3-piperidinecarboxylic acid IUPAC Name: 1-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonyl-3-hydroxy-2,2-dimethylpiperidine-3-carboxylic acid Traditional Name: 1-[4-(2-chloro-4-fluoro-benzyl)oxyphenyl]sulfonyl-3-hydroxy-2,2-dimethyl-nipecotic acid Formula: C21H23ClFNO6S MolecularWeight: 471.926823

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCCN1S(=O)(=O)C2=CC=C(C=C2)OCC3=C(C=C(C=C3)F)Cl)(C(=O)O)O)C

Isomeric SMILES

CC1(C(CCCN1S(=O)(=O)C2=CC=C(C=C2)OCC3=C(C=C(C=C3)F)Cl)(C(=O)O)O)C

InChI

InChI=1S/C21H23ClFNO6S/c1-20(2)21(27,19(25)26)10-3-11-24(20)31(28,29)17-8-6-16(7-9-17)30-13-14-4-5-15(23)12-18(14)22/h4-9,12,27H,3,10-11,13H2,1-2H3,(H,25,26)