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

Systemtic Name: 1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-2,2,3-trimethyl-piperidine-3-carboxylic acid Openeye Name: 1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-2,2,3-trimethyl-piperidine-3-carboxylic acid CAS Name: 1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-2,2,3-trimethyl-3-piperidinecarboxylic acid IUPAC Name: 1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-2,2,3-trimethylpiperidine-3-carboxylic acid Traditional Name: 1-[4-(4-fluorobenzyl)oxyphenyl]sulfonyl-2,2,3-trimethyl-nipecotic acid Formula: C22H26FNO5S MolecularWeight: 435.508943

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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)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26FNO5S/c1-21(2)22(3,20(25)26)13-4-14-24(21)30(27,28)19-11-9-18(10-12-19)29-15-16-5-7-17(23)8-6-16/h5-12H,4,13-15H2,1-3H3,(H,25,26)