(2-cyanophenyl)methyl 2-methylsulfonylbenzoate

Systemtic Name: (2-cyanophenyl)methyl 2-methylsulfonylbenzoate Openeye Name: (2-cyanophenyl)methyl 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid (2-cyanobenzyl) ester Formula: C16H13NO4S MolecularWeight: 315.34372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2C#N

InChI

InChI=1S/C16H13NO4S/c1-22(19,20)15-9-5-4-8-14(15)16(18)21-11-13-7-3-2-6-12(13)10-17/h2-9H,11H2,1H3