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

Systemtic Name: 1-[4-[(4-fluoranyl-2-methyl-phenyl)methoxy]phenyl]sulfonyl-3,3-dimethyl-5-oxidanyl-piperidine-2-carboxylic acid Openeye Name: 1-[4-[(4-fluoro-2-methyl-phenyl)methoxy]phenyl]sulfonyl-5-hydroxy-3,3-dimethyl-piperidine-2-carboxylic acid CAS Name: 1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-5-hydroxy-3,3-dimethyl-2-piperidinecarboxylic acid IUPAC Name: 1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-5-hydroxy-3,3-dimethylpiperidine-2-carboxylic acid Traditional Name: 1-[4-(4-fluoro-2-methyl-benzyl)oxyphenyl]sulfonyl-5-hydroxy-3,3-dimethyl-pipecolinic acid Formula: C22H26FNO6S MolecularWeight: 451.508343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)COC2=CC=C(C=C2)S(=O)(=O)N3CC(CC(C3C(=O)O)(C)C)O

Isomeric SMILES

CC1=C(C=CC(=C1)F)COC2=CC=C(C=C2)S(=O)(=O)N3CC(CC(C3C(=O)O)(C)C)O

InChI

InChI=1S/C22H26FNO6S/c1-14-10-16(23)5-4-15(14)13-30-18-6-8-19(9-7-18)31(28,29)24-12-17(25)11-22(2,3)20(24)21(26)27/h4-10,17,20,25H,11-13H2,1-3H3,(H,26,27)