(4-cyanophenyl)methyl 2-methylsulfonylbenzoate

Systemtic Name: (4-cyanophenyl)methyl 2-methylsulfonylbenzoate Openeye Name: (4-cyanophenyl)methyl 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid (4-cyanobenzyl) ester Formula: C16H13NO4S MolecularWeight: 315.34372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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