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

Systemtic Name: phenyl (1E)-6-methylsulfanyl-1-(phenylmethylidene)-2-(phenylsulfonyl)-3H-isoindole-5-sulfonate Openeye Name: phenyl (1E)-2-(benzenesulfonyl)-1-benzylidene-6-methylsulfanyl-isoindoline-5-sulfonate CAS Name: (1E)-2-(benzenesulfonyl)-6-(methylthio)-1-(phenylmethylene)-3H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (1E)-2-(benzenesulfonyl)-1-benzylidene-6-methylsulfanyl-3H-isoindole-5-sulfonate Traditional Name: (1E)-1-benzal-2-besyl-6-(methylthio)isoindoline-5-sulfonic acid phenyl ester Formula: C28H23NO5S3 MolecularWeight: 549.68092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C2CN(C(=CC3=CC=CC=C3)C2=C1)S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

CSC1=C(C=C2CN(/C(=C/C3=CC=CC=C3)/C2=C1)S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C28H23NO5S3/c1-35-27-19-25-22(18-28(27)37(32,33)34-23-13-7-3-8-14-23)20-29(26(25)17-21-11-5-2-6-12-21)36(30,31)24-15-9-4-10-16-24/h2-19H,20H2,1H3/b26-17+