[4-(2-cyanophenyl)phenyl]methyl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [4-(2-cyanophenyl)phenyl]methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [4-(2-cyanophenyl)phenyl]methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [4-(2-cyanophenyl)phenyl]methyl ester IUPAC Name: [4-(2-cyanophenyl)phenyl]methyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [4-(2-cyanophenyl)benzyl] ester Formula: C23H19NO4S MolecularWeight: 405.46626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C23H19NO4S/c1-16-7-12-20(29(2,26)27)13-22(16)23(25)28-15-17-8-10-18(11-9-17)21-6-4-3-5-19(21)14-24/h3-13H,15H2,1-2H3