(4-cyano-2-fluoranyl-phenyl)methyl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: (4-cyano-2-fluoranyl-phenyl)methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: (4-cyano-2-fluoro-phenyl)methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid (4-cyano-2-fluorophenyl)methyl ester IUPAC Name: (4-cyano-2-fluorophenyl)methyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid (4-cyano-2-fluoro-benzyl) ester Formula: C17H14FNO4S MolecularWeight: 347.360763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14FNO4S/c1-11-3-6-14(24(2,21)22)8-15(11)17(20)23-10-13-5-4-12(9-19)7-16(13)18/h3-8H,10H2,1-2H3