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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)CON2CCC(CC2(C(=O)O)S(=O)(=O)C3=CC=CC=C3)O

Isomeric SMILES

CC1=C(C=C(C=C1)F)CON2CCC(CC2(C(=O)O)S(=O)(=O)C3=CC=CC=C3)O

InChI

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