(4-cyanophenyl)methyl 4-(methylsulfonylmethyl)benzoate

Systemtic Name: (4-cyanophenyl)methyl 4-(methylsulfonylmethyl)benzoate Openeye Name: (4-cyanophenyl)methyl 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid (4-cyanobenzyl) ester Formula: C17H15NO4S MolecularWeight: 329.3703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO4S/c1-23(20,21)12-15-6-8-16(9-7-15)17(19)22-11-14-4-2-13(10-18)3-5-14/h2-9H,11-12H2,1H3