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

Systemtic Name: 1-[4-[(3-fluoranyl-2-methyl-phenyl)methoxy]phenyl]sulfonyl-3,3-dimethyl-5-oxidanyl-piperidine-2-carboxylic acid Openeye Name: 1-[4-[(3-fluoro-2-methyl-phenyl)methoxy]phenyl]sulfonyl-5-hydroxy-3,3-dimethyl-piperidine-2-carboxylic acid CAS Name: 1-[4-[(3-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-5-hydroxy-3,3-dimethyl-2-piperidinecarboxylic acid IUPAC Name: 1-[4-[(3-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-5-hydroxy-3,3-dimethylpiperidine-2-carboxylic acid Traditional Name: 1-[4-(3-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=C1F)COC2=CC=C(C=C2)S(=O)(=O)N3CC(CC(C3C(=O)O)(C)C)O

Isomeric SMILES

CC1=C(C=CC=C1F)COC2=CC=C(C=C2)S(=O)(=O)N3CC(CC(C3C(=O)O)(C)C)O

InChI

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