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

Systemtic Name: 4-[(5-chloranyl-2-fluoranyl-phenyl)methoxy]-3,3-dimethyl-5-oxidanyl-1-(phenylsulfonyl)piperidine-2-carboxylic acid Openeye Name: 1-(benzenesulfonyl)-4-[(5-chloro-2-fluoro-phenyl)methoxy]-5-hydroxy-3,3-dimethyl-piperidine-2-carboxylic acid CAS Name: 1-(benzenesulfonyl)-4-[(5-chloro-2-fluorophenyl)methoxy]-5-hydroxy-3,3-dimethyl-2-piperidinecarboxylic acid IUPAC Name: 1-(benzenesulfonyl)-4-[(5-chloro-2-fluorophenyl)methoxy]-5-hydroxy-3,3-dimethylpiperidine-2-carboxylic acid Traditional Name: 1-besyl-4-(5-chloro-2-fluoro-benzyl)oxy-5-hydroxy-3,3-dimethyl-pipecolinic acid Formula: C21H23ClFNO6S MolecularWeight: 471.926823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClFNO6S/c1-21(2)18(20(26)27)24(31(28,29)15-6-4-3-5-7-15)11-17(25)19(21)30-12-13-10-14(22)8-9-16(13)23/h3-10,17-19,25H,11-12H2,1-2H3,(H,26,27)