(3-cyanophenyl)methyl 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: (3-cyanophenyl)methyl 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: (3-cyanophenyl)methyl 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid (3-cyanobenzyl) ester Formula: C16H12ClNO4S MolecularWeight: 349.78878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClNO4S/c1-23(20,21)13-5-6-15(17)14(8-13)16(19)22-10-12-4-2-3-11(7-12)9-18/h2-8H,10H2,1H3