2-[3-cyano-5-[2-fluoranyl-4-(phenylsulfonyl)phenoxy]phenyl]ethanoic acid

Systemtic Name: 2-[3-cyano-5-[2-fluoranyl-4-(phenylsulfonyl)phenoxy]phenyl]ethanoic acid Openeye Name: 2-[3-[4-(benzenesulfonyl)-2-fluoro-phenoxy]-5-cyano-phenyl]acetic acid CAS Name: 2-[3-[4-(benzenesulfonyl)-2-fluorophenoxy]-5-cyanophenyl]acetic acid IUPAC Name: 2-[3-[4-(benzenesulfonyl)-2-fluorophenoxy]-5-cyanophenyl]acetic acid Traditional Name: 2-[3-(4-besyl-2-fluoro-phenoxy)-5-cyano-phenyl]acetic acid Formula: C21H14FNO5S MolecularWeight: 411.402963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC(=CC(=C3)CC(=O)O)C#N)F

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC(=CC(=C3)CC(=O)O)C#N)F

InChI

InChI=1S/C21H14FNO5S/c22-19-12-18(29(26,27)17-4-2-1-3-5-17)6-7-20(19)28-16-9-14(11-21(24)25)8-15(10-16)13-23/h1-10,12H,11H2,(H,24,25)