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

Systemtic Name: 4-[(3-fluoranyl-2-methyl-phenyl)methoxy]-3-methyl-3-oxidanyl-1-(phenylsulfonyl)piperidine-2-carboxylic acid Openeye Name: 1-(benzenesulfonyl)-4-[(3-fluoro-2-methyl-phenyl)methoxy]-3-hydroxy-3-methyl-piperidine-2-carboxylic acid CAS Name: 1-(benzenesulfonyl)-4-[(3-fluoro-2-methylphenyl)methoxy]-3-hydroxy-3-methyl-2-piperidinecarboxylic acid IUPAC Name: 1-(benzenesulfonyl)-4-[(3-fluoro-2-methylphenyl)methoxy]-3-hydroxy-3-methylpiperidine-2-carboxylic acid Traditional Name: 1-besyl-4-(3-fluoro-2-methyl-benzyl)oxy-3-hydroxy-3-methyl-pipecolinic acid Formula: C21H24FNO6S MolecularWeight: 437.481763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1F)COC2CCN(C(C2(C)O)C(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1F)COC2CCN(C(C2(C)O)C(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24FNO6S/c1-14-15(7-6-10-17(14)22)13-29-18-11-12-23(19(20(24)25)21(18,2)26)30(27,28)16-8-4-3-5-9-16/h3-10,18-19,26H,11-13H2,1-2H3,(H,24,25)