(4-cyanophenyl)methyl 3-methylsulfonylbenzoate

Systemtic Name: (4-cyanophenyl)methyl 3-methylsulfonylbenzoate Openeye Name: (4-cyanophenyl)methyl 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-methylsulfonylbenzoate Traditional Name: 3-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(=C1)C(=O)OCC2=CC=C(C=C2)C#N

Isomeric SMILES

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

InChI

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