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

Systemtic Name: 3-ethoxy-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-piperidine-2-carboxylic acid Openeye Name: 3-ethoxy-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-piperidine-2-carboxylic acid CAS Name: 3-ethoxy-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-2-piperidinecarboxylic acid IUPAC Name: 3-ethoxy-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid Traditional Name: 3-ethoxy-1-[4-(4-fluorobenzyl)oxyphenyl]sulfonyl-pipecolinic acid Formula: C21H24FNO6S MolecularWeight: 437.481763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CCCN(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)F

Isomeric SMILES

CCOC1CCCN(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FNO6S/c1-2-28-19-4-3-13-23(20(19)21(24)25)30(26,27)18-11-9-17(10-12-18)29-14-15-5-7-16(22)8-6-15/h5-12,19-20H,2-4,13-14H2,1H3,(H,24,25)