(4-cyano-2-fluoranyl-phenyl)methyl 4-(methylsulfonylmethyl)benzoate

Systemtic Name: (4-cyano-2-fluoranyl-phenyl)methyl 4-(methylsulfonylmethyl)benzoate Openeye Name: (4-cyano-2-fluoro-phenyl)methyl 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid (4-cyano-2-fluorophenyl)methyl ester IUPAC Name: (4-cyano-2-fluorophenyl)methyl 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid (4-cyano-2-fluoro-benzyl) ester Formula: C17H14FNO4S MolecularWeight: 347.360763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)OCC2=C(C=C(C=C2)C#N)F

Isomeric SMILES

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)OCC2=C(C=C(C=C2)C#N)F

InChI

InChI=1S/C17H14FNO4S/c1-24(21,22)11-12-2-5-14(6-3-12)17(20)23-10-15-7-4-13(9-19)8-16(15)18/h2-8H,10-11H2,1H3