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

Systemtic Name: 1-[4-[(5-fluoranyl-2-methyl-phenyl)methoxy]phenyl]sulfonyl-2,2,3-trimethyl-piperidine-3-carboxylic acid Openeye Name: 1-[4-[(5-fluoro-2-methyl-phenyl)methoxy]phenyl]sulfonyl-2,2,3-trimethyl-piperidine-3-carboxylic acid CAS Name: 1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-2,2,3-trimethyl-3-piperidinecarboxylic acid IUPAC Name: 1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-2,2,3-trimethylpiperidine-3-carboxylic acid Traditional Name: 1-[4-(5-fluoro-2-methyl-benzyl)oxyphenyl]sulfonyl-2,2,3-trimethyl-nipecotic acid Formula: C23H28FNO5S MolecularWeight: 449.535523

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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)N3CCCC(C3(C)C)(C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H28FNO5S/c1-16-6-7-18(24)14-17(16)15-30-19-8-10-20(11-9-19)31(28,29)25-13-5-12-23(4,21(26)27)22(25,2)3/h6-11,14H,5,12-13,15H2,1-4H3,(H,26,27)