phenyl (3E)-6-oxidanyl-3-(phenylmethylidene)-2-(phenylsulfonyl)-1H-isoindole-5-sulfonate

Systemtic Name: phenyl (3E)-6-oxidanyl-3-(phenylmethylidene)-2-(phenylsulfonyl)-1H-isoindole-5-sulfonate Openeye Name: phenyl (3E)-2-(benzenesulfonyl)-3-benzylidene-6-hydroxy-isoindoline-5-sulfonate CAS Name: (3E)-2-(benzenesulfonyl)-6-hydroxy-3-(phenylmethylene)-1H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-2-(benzenesulfonyl)-3-benzylidene-6-hydroxy-1H-isoindole-5-sulfonate Traditional Name: (3E)-3-benzal-2-besyl-6-hydroxy-isoindoline-5-sulfonic acid phenyl ester Formula: C27H21NO6S2 MolecularWeight: 519.58874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=C(C=C2C(=CC3=CC=CC=C3)N1S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5)O

Isomeric SMILES

C1C2=CC(=C(C=C2/C(=C\C3=CC=CC=C3)/N1S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5)O

InChI

InChI=1S/C27H21NO6S2/c29-26-17-21-19-28(35(30,31)23-14-8-3-9-15-23)25(16-20-10-4-1-5-11-20)24(21)18-27(26)36(32,33)34-22-12-6-2-7-13-22/h1-18,29H,19H2/b25-16+