[1-cyano-2-[4-(3-oxidanylidene-1H-isoindol-2-yl)phenyl]propyl] 4-methylbenzenesulfonate

Systemtic Name: [1-cyano-2-[4-(3-oxidanylidene-1H-isoindol-2-yl)phenyl]propyl] 4-methylbenzenesulfonate Openeye Name: [1-cyano-2-[4-(1-oxoisoindolin-2-yl)phenyl]propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-cyano-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propyl] ester IUPAC Name: [1-cyano-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-cyano-2-[4-(1-ketoisoindolin-2-yl)phenyl]propyl] ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C#N)C(C)C2=CC=C(C=C2)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C#N)C(C)C2=CC=C(C=C2)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C25H22N2O4S/c1-17-7-13-22(14-8-17)32(29,30)31-24(15-26)18(2)19-9-11-21(12-10-19)27-16-20-5-3-4-6-23(20)25(27)28/h3-14,18,24H,16H2,1-2H3