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

Systemtic Name: 1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-2-methyl-3-oxidanylidene-piperidine-2-carboxylic acid Openeye Name: 1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-2-methyl-3-oxo-piperidine-2-carboxylic acid CAS Name: 1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-2-methyl-3-oxo-2-piperidinecarboxylic acid IUPAC Name: 1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-2-methyl-3-oxopiperidine-2-carboxylic acid Traditional Name: 1-[4-(4-fluorobenzyl)oxyphenyl]sulfonyl-3-keto-2-methyl-pipecolinic acid Formula: C20H20FNO6S MolecularWeight: 421.439303

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)CCCN1S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

CC1(C(=O)CCCN1S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C20H20FNO6S/c1-20(19(24)25)18(23)3-2-12-22(20)29(26,27)17-10-8-16(9-11-17)28-13-14-4-6-15(21)7-5-14/h4-11H,2-3,12-13H2,1H3,(H,24,25)