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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSN1CC2=CC(=C(C=C2C1=CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

CSN\1CC2=CC(=C(C=C2/C1=C/C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

InChI

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