3-ethoxy-1-[4-[(5-fluoranyl-2-methyl-phenyl)methoxy]phenyl]sulfonyl-piperidine-3-carboxylic acid

Systemtic Name: 3-ethoxy-1-[4-[(5-fluoranyl-2-methyl-phenyl)methoxy]phenyl]sulfonyl-piperidine-3-carboxylic acid Openeye Name: 3-ethoxy-1-[4-[(5-fluoro-2-methyl-phenyl)methoxy]phenyl]sulfonyl-piperidine-3-carboxylic acid CAS Name: 3-ethoxy-1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-3-piperidinecarboxylic acid IUPAC Name: 3-ethoxy-1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]sulfonylpiperidine-3-carboxylic acid Traditional Name: 3-ethoxy-1-[4-(5-fluoro-2-methyl-benzyl)oxyphenyl]sulfonyl-nipecotic acid Formula: C22H26FNO6S MolecularWeight: 451.508343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26FNO6S/c1-3-30-22(21(25)26)11-4-12-24(15-22)31(27,28)20-9-7-19(8-10-20)29-14-17-13-18(23)6-5-16(17)2/h5-10,13H,3-4,11-12,14-15H2,1-2H3,(H,25,26)