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

Systemtic Name: 1-[4-[(4-fluoranyl-2-methyl-phenyl)methoxy]phenyl]sulfonyl-2,2-dimethyl-3-oxidanyl-piperidine-3-carboxylic acid Openeye Name: 1-[4-[(4-fluoro-2-methyl-phenyl)methoxy]phenyl]sulfonyl-3-hydroxy-2,2-dimethyl-piperidine-3-carboxylic acid CAS Name: 1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-3-hydroxy-2,2-dimethyl-3-piperidinecarboxylic acid IUPAC Name: 1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-3-hydroxy-2,2-dimethylpiperidine-3-carboxylic acid Traditional Name: 1-[4-(4-fluoro-2-methyl-benzyl)oxyphenyl]sulfonyl-3-hydroxy-2,2-dimethyl-nipecotic 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)N3CCCC(C3(C)C)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)F)COC2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3(C)C)(C(=O)O)O

InChI

InChI=1S/C22H26FNO6S/c1-15-13-17(23)6-5-16(15)14-30-18-7-9-19(10-8-18)31(28,29)24-12-4-11-22(27,20(25)26)21(24,2)3/h5-10,13,27H,4,11-12,14H2,1-3H3,(H,25,26)