(3-cyanophenyl)methyl 4-methylsulfonylbenzoate

Systemtic Name: (3-cyanophenyl)methyl 4-methylsulfonylbenzoate Openeye Name: (3-cyanophenyl)methyl 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid (3-cyanobenzyl) ester Formula: C16H13NO4S MolecularWeight: 315.34372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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