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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C2C(=C1)CN(C2=CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

CSC1=C(C=C\2C(=C1)CN(/C2=C/C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

InChI

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