1-[4-[(5-chloranyl-2-fluoranyl-phenyl)methoxy]phenyl]sulfonyl-3,3-dimethyl-5-oxidanyl-piperidine-2-carboxylic acid

Systemtic Name: 1-[4-[(5-chloranyl-2-fluoranyl-phenyl)methoxy]phenyl]sulfonyl-3,3-dimethyl-5-oxidanyl-piperidine-2-carboxylic acid Openeye Name: 1-[4-[(5-chloro-2-fluoro-phenyl)methoxy]phenyl]sulfonyl-5-hydroxy-3,3-dimethyl-piperidine-2-carboxylic acid CAS Name: 1-[4-[(5-chloro-2-fluorophenyl)methoxy]phenyl]sulfonyl-5-hydroxy-3,3-dimethyl-2-piperidinecarboxylic acid IUPAC Name: 1-[4-[(5-chloro-2-fluorophenyl)methoxy]phenyl]sulfonyl-5-hydroxy-3,3-dimethylpiperidine-2-carboxylic acid Traditional Name: 1-[4-(5-chloro-2-fluoro-benzyl)oxyphenyl]sulfonyl-5-hydroxy-3,3-dimethyl-pipecolinic acid Formula: C21H23ClFNO6S MolecularWeight: 471.926823

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CN(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=C(C=CC(=C3)Cl)F)O)C

Isomeric SMILES

CC1(CC(CN(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=C(C=CC(=C3)Cl)F)O)C

InChI

InChI=1S/C21H23ClFNO6S/c1-21(2)10-15(25)11-24(19(21)20(26)27)31(28,29)17-6-4-16(5-7-17)30-12-13-9-14(22)3-8-18(13)23/h3-9,15,19,25H,10-12H2,1-2H3,(H,26,27)