methyl 2-cyano-3-methylsulfonyl-4-propan-2-yl-benzoate

Systemtic Name: methyl 2-cyano-3-methylsulfonyl-4-propan-2-yl-benzoate Openeye Name: methyl 2-cyano-4-isopropyl-3-methylsulfonyl-benzoate CAS Name: 2-cyano-3-methylsulfonyl-4-propan-2-ylbenzoic acid methyl ester IUPAC Name: methyl 2-cyano-3-methylsulfonyl-4-propan-2-ylbenzoate Traditional Name: 2-cyano-4-isopropyl-3-mesyl-benzoic acid methyl ester Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4S/c1-8(2)9-5-6-10(13(15)18-3)11(7-14)12(9)19(4,16)17/h5-6,8H,1-4H3