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

Systemtic Name: (4-cyano-2-methoxy-phenyl) 3-(phenylsulfonylmethyl)benzoate Openeye Name: (4-cyano-2-methoxy-phenyl) 3-(benzenesulfonylmethyl)benzoate CAS Name: 3-(benzenesulfonylmethyl)benzoic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 3-(benzenesulfonylmethyl)benzoate Traditional Name: 3-(besylmethyl)benzoic acid (4-cyano-2-methoxy-phenyl) ester Formula: C22H17NO5S MolecularWeight: 407.43908

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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)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OC(=O)C2=CC(=CC=C2)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H17NO5S/c1-27-21-13-16(14-23)10-11-20(21)28-22(24)18-7-5-6-17(12-18)15-29(25,26)19-8-3-2-4-9-19/h2-13H,15H2,1H3