[2-(2-cyano-2-phenyl-ethanoyl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(2-cyano-2-phenyl-ethanoyl)phenyl] 4-methylbenzenesulfonate Openeye Name: [2-(2-cyano-2-phenyl-acetyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(2-cyano-1-oxo-2-phenylethyl)phenyl] ester IUPAC Name: [2-(2-cyano-2-phenylacetyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(2-cyano-2-phenyl-acetyl)phenyl] ester Formula: C22H17NO4S MolecularWeight: 391.43968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(=O)C(C#N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(=O)C(C#N)C3=CC=CC=C3

InChI

InChI=1S/C22H17NO4S/c1-16-11-13-18(14-12-16)28(25,26)27-21-10-6-5-9-19(21)22(24)20(15-23)17-7-3-2-4-8-17/h2-14,20H,1H3