3-ethoxy-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-piperidine-3-carboxylic acid

Systemtic Name: 3-ethoxy-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-piperidine-3-carboxylic acid Openeye Name: 3-ethoxy-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-piperidine-3-carboxylic acid CAS Name: 3-ethoxy-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-3-piperidinecarboxylic acid IUPAC Name: 3-ethoxy-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonylpiperidine-3-carboxylic acid Traditional Name: 3-ethoxy-1-[4-(4-fluorobenzyl)oxyphenyl]sulfonyl-nipecotic acid Formula: C21H24FNO6S MolecularWeight: 437.481763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

CCOC1(CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C21H24FNO6S/c1-2-29-21(20(24)25)12-3-13-23(15-21)30(26,27)19-10-8-18(9-11-19)28-14-16-4-6-17(22)7-5-16/h4-11H,2-3,12-15H2,1H3,(H,24,25)