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

Systemtic Name: 1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-3-methoxy-piperidine-3-carboxylic acid Openeye Name: 1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-3-methoxy-piperidine-3-carboxylic acid CAS Name: 1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-3-methoxy-3-piperidinecarboxylic acid IUPAC Name: 1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-3-methoxypiperidine-3-carboxylic acid Traditional Name: 1-[4-(4-fluorobenzyl)oxyphenyl]sulfonyl-3-methoxy-nipecotic acid Formula: C20H22FNO6S MolecularWeight: 423.455183

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

COC1(CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C20H22FNO6S/c1-27-20(19(23)24)11-2-12-22(14-20)29(25,26)18-9-7-17(8-10-18)28-13-15-3-5-16(21)6-4-15/h3-10H,2,11-14H2,1H3,(H,23,24)