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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FNO6S/c1-20(2)21(26,19(24)25)12-3-13-23(20)30(27,28)18-10-8-17(9-11-18)29-14-15-4-6-16(22)7-5-15/h4-11,26H,3,12-14H2,1-2H3,(H,24,25)