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

Systemtic Name: 1-[4-[(4-chloranyl-2-fluoranyl-phenyl)methoxy]phenyl]sulfonyl-3-methyl-3-oxidanyl-piperidine-2-carboxylic acid Openeye Name: 1-[4-[(4-chloro-2-fluoro-phenyl)methoxy]phenyl]sulfonyl-3-hydroxy-3-methyl-piperidine-2-carboxylic acid CAS Name: 1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]sulfonyl-3-hydroxy-3-methyl-2-piperidinecarboxylic acid IUPAC Name: 1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]sulfonyl-3-hydroxy-3-methylpiperidine-2-carboxylic acid Traditional Name: 1-[4-(4-chloro-2-fluoro-benzyl)oxyphenyl]sulfonyl-3-hydroxy-3-methyl-pipecolinic acid Formula: C20H21ClFNO6S MolecularWeight: 457.900243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClFNO6S/c1-20(26)9-2-10-23(18(20)19(24)25)30(27,28)16-7-5-15(6-8-16)29-12-13-3-4-14(21)11-17(13)22/h3-8,11,18,26H,2,9-10,12H2,1H3,(H,24,25)