[4-(2-cyanophenyl)phenyl]methyl 4-methylsulfonylbenzoate

Systemtic Name: [4-(2-cyanophenyl)phenyl]methyl 4-methylsulfonylbenzoate Openeye Name: [4-(2-cyanophenyl)phenyl]methyl 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [4-(2-cyanophenyl)phenyl]methyl ester IUPAC Name: [4-(2-cyanophenyl)phenyl]methyl 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [4-(2-cyanophenyl)benzyl] ester Formula: C22H17NO4S MolecularWeight: 391.43968

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C22H17NO4S/c1-28(25,26)20-12-10-18(11-13-20)22(24)27-15-16-6-8-17(9-7-16)21-5-3-2-4-19(21)14-23/h2-13H,15H2,1H3