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

Systemtic Name: 1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-4-methyl-4-oxidanyl-piperidine-2-carboxylic acid Openeye Name: 1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-4-hydroxy-4-methyl-piperidine-2-carboxylic acid CAS Name: 1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-4-hydroxy-4-methyl-2-piperidinecarboxylic acid IUPAC Name: 1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-4-hydroxy-4-methylpiperidine-2-carboxylic acid Traditional Name: 1-[4-(4-fluorobenzyl)oxyphenyl]sulfonyl-4-hydroxy-4-methyl-pipecolinic acid Formula: C20H22FNO6S MolecularWeight: 423.455183

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(C(C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)F)O

Isomeric SMILES

CC1(CCN(C(C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)F)O

InChI

InChI=1S/C20H22FNO6S/c1-20(25)10-11-22(18(12-20)19(23)24)29(26,27)17-8-6-16(7-9-17)28-13-14-2-4-15(21)5-3-14/h2-9,18,25H,10-13H2,1H3,(H,23,24)