1-[4-[2-(4-fluorophenyl)ethoxy]phenyl]sulfonyl-3-methyl-3-oxidanyl-piperidine-2-carboxylic acid

Systemtic Name: 1-[4-[2-(4-fluorophenyl)ethoxy]phenyl]sulfonyl-3-methyl-3-oxidanyl-piperidine-2-carboxylic acid Openeye Name: 1-[4-[2-(4-fluorophenyl)ethoxy]phenyl]sulfonyl-3-hydroxy-3-methyl-piperidine-2-carboxylic acid CAS Name: 1-[4-[2-(4-fluorophenyl)ethoxy]phenyl]sulfonyl-3-hydroxy-3-methyl-2-piperidinecarboxylic acid IUPAC Name: 1-[4-[2-(4-fluorophenyl)ethoxy]phenyl]sulfonyl-3-hydroxy-3-methylpiperidine-2-carboxylic acid Traditional Name: 1-[4-[2-(4-fluorophenyl)ethoxy]phenyl]sulfonyl-3-hydroxy-3-methyl-pipecolinic acid Formula: C21H24FNO6S MolecularWeight: 437.481763

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCCC3=CC=C(C=C3)F)O

Isomeric SMILES

CC1(CCCN(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCCC3=CC=C(C=C3)F)O

InChI

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