4-[(5-fluoranyl-2-methyl-phenyl)methoxy]-3-methyl-3-oxidanyl-1-(phenylsulfonyl)piperidine-2-carboxylic acid

Systemtic Name: 4-[(5-fluoranyl-2-methyl-phenyl)methoxy]-3-methyl-3-oxidanyl-1-(phenylsulfonyl)piperidine-2-carboxylic acid Openeye Name: 1-(benzenesulfonyl)-4-[(5-fluoro-2-methyl-phenyl)methoxy]-3-hydroxy-3-methyl-piperidine-2-carboxylic acid CAS Name: 1-(benzenesulfonyl)-4-[(5-fluoro-2-methylphenyl)methoxy]-3-hydroxy-3-methyl-2-piperidinecarboxylic acid IUPAC Name: 1-(benzenesulfonyl)-4-[(5-fluoro-2-methylphenyl)methoxy]-3-hydroxy-3-methylpiperidine-2-carboxylic acid Traditional Name: 1-besyl-4-(5-fluoro-2-methyl-benzyl)oxy-3-hydroxy-3-methyl-pipecolinic acid Formula: C21H24FNO6S MolecularWeight: 437.481763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)COC2CCN(C(C2(C)O)C(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)F)COC2CCN(C(C2(C)O)C(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

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