3-[2-(2-cyano-4-methylsulfonyl-phenoxy)-4-fluoranyl-phenyl]propanoic acid

Systemtic Name: 3-[2-(2-cyano-4-methylsulfonyl-phenoxy)-4-fluoranyl-phenyl]propanoic acid Openeye Name: 3-[2-(2-cyano-4-methylsulfonyl-phenoxy)-4-fluoro-phenyl]propanoic acid CAS Name: 3-[2-(2-cyano-4-methylsulfonylphenoxy)-4-fluorophenyl]propanoic acid IUPAC Name: 3-[2-(2-cyano-4-methylsulfonylphenoxy)-4-fluorophenyl]propanoic acid Traditional Name: 3-[2-(2-cyano-4-mesyl-phenoxy)-4-fluoro-phenyl]propionic acid Formula: C17H14FNO5S MolecularWeight: 363.360163

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)OC2=C(C=CC(=C2)F)CCC(=O)O)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)OC2=C(C=CC(=C2)F)CCC(=O)O)C#N

InChI

InChI=1S/C17H14FNO5S/c1-25(22,23)14-5-6-15(12(8-14)10-19)24-16-9-13(18)4-2-11(16)3-7-17(20)21/h2,4-6,8-9H,3,7H2,1H3,(H,20,21)