(4-cyano-2-fluoranyl-phenyl)methyl 2-methylsulfonylbenzoate

Systemtic Name: (4-cyano-2-fluoranyl-phenyl)methyl 2-methylsulfonylbenzoate Openeye Name: (4-cyano-2-fluoro-phenyl)methyl 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid (4-cyano-2-fluorophenyl)methyl ester IUPAC Name: (4-cyano-2-fluorophenyl)methyl 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid (4-cyano-2-fluoro-benzyl) ester Formula: C16H12FNO4S MolecularWeight: 333.334183

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC2=C(C=C(C=C2)C#N)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC2=C(C=C(C=C2)C#N)F

InChI

InChI=1S/C16H12FNO4S/c1-23(20,21)15-5-3-2-4-13(15)16(19)22-10-12-7-6-11(9-18)8-14(12)17/h2-8H,10H2,1H3