(4-cyano-2-methoxy-phenyl) 3-(methylsulfonylmethyl)benzoate

Systemtic Name: (4-cyano-2-methoxy-phenyl) 3-(methylsulfonylmethyl)benzoate Openeye Name: (4-cyano-2-methoxy-phenyl) 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid (4-cyano-2-methoxy-phenyl) ester Formula: C17H15NO5S MolecularWeight: 345.3697

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OC(=O)C2=CC(=CC=C2)CS(=O)(=O)C

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OC(=O)C2=CC(=CC=C2)CS(=O)(=O)C

InChI

InChI=1S/C17H15NO5S/c1-22-16-9-12(10-18)6-7-15(16)23-17(19)14-5-3-4-13(8-14)11-24(2,20)21/h3-9H,11H2,1-2H3