1-[4-[(5-fluoranyl-2-methyl-phenyl)methoxy]phenyl]sulfonyl-5-methyl-5-oxidanyl-piperidine-2-carboxylic acid

Systemtic Name: 1-[4-[(5-fluoranyl-2-methyl-phenyl)methoxy]phenyl]sulfonyl-5-methyl-5-oxidanyl-piperidine-2-carboxylic acid Openeye Name: 1-[4-[(5-fluoro-2-methyl-phenyl)methoxy]phenyl]sulfonyl-5-hydroxy-5-methyl-piperidine-2-carboxylic acid CAS Name: 1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-5-hydroxy-5-methyl-2-piperidinecarboxylic acid IUPAC Name: 1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-5-hydroxy-5-methylpiperidine-2-carboxylic acid Traditional Name: 1-[4-(5-fluoro-2-methyl-benzyl)oxyphenyl]sulfonyl-5-hydroxy-5-methyl-pipecolinic acid Formula: C21H24FNO6S MolecularWeight: 437.481763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)COC2=CC=C(C=C2)S(=O)(=O)N3CC(CCC3C(=O)O)(C)O

Isomeric SMILES

CC1=C(C=C(C=C1)F)COC2=CC=C(C=C2)S(=O)(=O)N3CC(CCC3C(=O)O)(C)O

InChI

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