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

Systemtic Name: 1-[4-[2-(4-fluorophenyl)ethoxy]phenyl]sulfonyl-2-methyl-3-oxidanylidene-piperidine-2-carboxylic acid Openeye Name: 1-[4-[2-(4-fluorophenyl)ethoxy]phenyl]sulfonyl-2-methyl-3-oxo-piperidine-2-carboxylic acid CAS Name: 1-[4-[2-(4-fluorophenyl)ethoxy]phenyl]sulfonyl-2-methyl-3-oxo-2-piperidinecarboxylic acid IUPAC Name: 1-[4-[2-(4-fluorophenyl)ethoxy]phenyl]sulfonyl-2-methyl-3-oxopiperidine-2-carboxylic acid Traditional Name: 1-[4-[2-(4-fluorophenyl)ethoxy]phenyl]sulfonyl-3-keto-2-methyl-pipecolinic acid Formula: C21H22FNO6S MolecularWeight: 435.465883

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)CCCN1S(=O)(=O)C2=CC=C(C=C2)OCCC3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

CC1(C(=O)CCCN1S(=O)(=O)C2=CC=C(C=C2)OCCC3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C21H22FNO6S/c1-21(20(25)26)19(24)3-2-13-23(21)30(27,28)18-10-8-17(9-11-18)29-14-12-15-4-6-16(22)7-5-15/h4-11H,2-3,12-14H2,1H3,(H,25,26)