2-methyl-5-[4-(2-phenylethynyl)phenyl]sulfonyl-isoindole-1,3-dione

Systemtic Name: 2-methyl-5-[4-(2-phenylethynyl)phenyl]sulfonyl-isoindole-1,3-dione Openeye Name: 2-methyl-5-[4-(2-phenylethynyl)phenyl]sulfonyl-isoindoline-1,3-dione CAS Name: 2-methyl-5-[4-(2-phenylethynyl)phenyl]sulfonylisoindole-1,3-dione IUPAC Name: 2-methyl-5-[4-(2-phenylethynyl)phenyl]sulfonylisoindole-1,3-dione Traditional Name: 2-methyl-5-[4-(2-phenylethynyl)phenyl]sulfonyl-isoindoline-1,3-quinone Formula: C23H15NO4S MolecularWeight: 401.4345

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)C#CC4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C23H15NO4S/c1-24-22(25)20-14-13-19(15-21(20)23(24)26)29(27,28)18-11-9-17(10-12-18)8-7-16-5-3-2-4-6-16/h2-6,9-15H,1H3