methyl 2-cyano-4-(4-methylphenyl)-5-methylsulfonyl-benzoate

Systemtic Name: methyl 2-cyano-4-(4-methylphenyl)-5-methylsulfonyl-benzoate Openeye Name: methyl 2-cyano-5-methylsulfonyl-4-(p-tolyl)benzoate CAS Name: 2-cyano-4-(4-methylphenyl)-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-cyano-4-(4-methylphenyl)-5-methylsulfonylbenzoate Traditional Name: 2-cyano-5-mesyl-4-(p-tolyl)benzoic acid methyl ester Formula: C17H15NO4S MolecularWeight: 329.3703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO4S/c1-11-4-6-12(7-5-11)14-8-13(10-18)15(17(19)22-2)9-16(14)23(3,20)21/h4-9H,1-3H3