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

Systemtic Name: 4-[(4-chloranyl-2-fluoranyl-phenyl)methoxy]-3-methyl-3-oxidanyl-1-(phenylsulfonyl)piperidine-2-carboxylic acid Openeye Name: 1-(benzenesulfonyl)-4-[(4-chloro-2-fluoro-phenyl)methoxy]-3-hydroxy-3-methyl-piperidine-2-carboxylic acid CAS Name: 1-(benzenesulfonyl)-4-[(4-chloro-2-fluorophenyl)methoxy]-3-hydroxy-3-methyl-2-piperidinecarboxylic acid IUPAC Name: 1-(benzenesulfonyl)-4-[(4-chloro-2-fluorophenyl)methoxy]-3-hydroxy-3-methylpiperidine-2-carboxylic acid Traditional Name: 1-besyl-4-(4-chloro-2-fluoro-benzyl)oxy-3-hydroxy-3-methyl-pipecolinic acid Formula: C20H21ClFNO6S MolecularWeight: 457.900243

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCN(C1C(=O)O)S(=O)(=O)C2=CC=CC=C2)OCC3=C(C=C(C=C3)Cl)F)O

Isomeric SMILES

CC1(C(CCN(C1C(=O)O)S(=O)(=O)C2=CC=CC=C2)OCC3=C(C=C(C=C3)Cl)F)O

InChI

InChI=1S/C20H21ClFNO6S/c1-20(26)17(29-12-13-7-8-14(21)11-16(13)22)9-10-23(18(20)19(24)25)30(27,28)15-5-3-2-4-6-15/h2-8,11,17-18,26H,9-10,12H2,1H3,(H,24,25)