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

Systemtic Name: 1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-3,3-dimethyl-5-oxidanyl-piperidine-2-carboxylic acid Openeye Name: 1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-5-hydroxy-3,3-dimethyl-piperidine-2-carboxylic acid CAS Name: 1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-5-hydroxy-3,3-dimethyl-2-piperidinecarboxylic acid IUPAC Name: 1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-5-hydroxy-3,3-dimethylpiperidine-2-carboxylic acid Traditional Name: 1-[4-(4-fluorobenzyl)oxyphenyl]sulfonyl-5-hydroxy-3,3-dimethyl-pipecolinic acid Formula: C21H24FNO6S MolecularWeight: 437.481763

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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=CC=C(C=C3)F)O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24FNO6S/c1-21(2)11-16(24)12-23(19(21)20(25)26)30(27,28)18-9-7-17(8-10-18)29-13-14-3-5-15(22)6-4-14/h3-10,16,19,24H,11-13H2,1-2H3,(H,25,26)