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

Systemtic Name: (3-cyanophenyl)methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: (3-cyanophenyl)methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid (3-cyanobenzyl) ester Formula: C17H15NO4S MolecularWeight: 329.3703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO4S/c1-12-6-7-15(23(2,20)21)9-16(12)17(19)22-11-14-5-3-4-13(8-14)10-18/h3-9H,11H2,1-2H3