2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methoxy-phenyl]ethanoic acid

Systemtic Name: 2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methoxy-phenyl]ethanoic acid Openeye Name: 2-[3-[1-(4-fluorophenyl)sulfonyl-3-piperidyl]-5-methoxy-phenyl]acetic acid CAS Name: 2-[3-[1-(4-fluorophenyl)sulfonyl-3-piperidinyl]-5-methoxyphenyl]acetic acid IUPAC Name: 2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methoxyphenyl]acetic acid Traditional Name: 2-[3-[1-(4-fluorophenyl)sulfonyl-3-piperidyl]-5-methoxy-phenyl]acetic acid Formula: C20H22FNO5S MolecularWeight: 407.455783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CC(=O)O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC(=CC(=C1)CC(=O)O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FNO5S/c1-27-18-10-14(11-20(23)24)9-16(12-18)15-3-2-8-22(13-15)28(25,26)19-6-4-17(21)5-7-19/h4-7,9-10,12,15H,2-3,8,11,13H2,1H3,(H,23,24)