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

Systemtic Name: 1-[4-[(5-fluoranyl-2-methyl-phenyl)methoxy]phenyl]sulfonyl-4-oxidanyl-piperidine-2-carboxylic acid Openeye Name: 1-[4-[(5-fluoro-2-methyl-phenyl)methoxy]phenyl]sulfonyl-4-hydroxy-piperidine-2-carboxylic acid CAS Name: 1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-4-hydroxy-2-piperidinecarboxylic acid IUPAC Name: 1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-4-hydroxypiperidine-2-carboxylic acid Traditional Name: 1-[4-(5-fluoro-2-methyl-benzyl)oxyphenyl]sulfonyl-4-hydroxy-pipecolinic acid Formula: C20H22FNO6S MolecularWeight: 423.455183

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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)N3CCC(CC3C(=O)O)O

Isomeric SMILES

CC1=C(C=C(C=C1)F)COC2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3C(=O)O)O

InChI

InChI=1S/C20H22FNO6S/c1-13-2-3-15(21)10-14(13)12-28-17-4-6-18(7-5-17)29(26,27)22-9-8-16(23)11-19(22)20(24)25/h2-7,10,16,19,23H,8-9,11-12H2,1H3,(H,24,25)