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

Systemtic Name: phenyl (1E)-6-(phenylmethyl)-1-(phenylmethylidene)-2-(phenylsulfonyl)-3H-isoindole-5-sulfonate Openeye Name: phenyl (1E)-2-(benzenesulfonyl)-6-benzyl-1-benzylidene-isoindoline-5-sulfonate CAS Name: (1E)-2-(benzenesulfonyl)-6-(phenylmethyl)-1-(phenylmethylene)-3H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (1E)-2-(benzenesulfonyl)-6-benzyl-1-benzylidene-3H-isoindole-5-sulfonate Traditional Name: (1E)-1-benzal-6-benzyl-2-besyl-isoindoline-5-sulfonic acid phenyl ester Formula: C34H27NO5S2 MolecularWeight: 593.71188

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=C(C=C2C(=CC3=CC=CC=C3)N1S(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=C5)S(=O)(=O)OC6=CC=CC=C6

Isomeric SMILES

C1C2=CC(=C(C=C2/C(=C\C3=CC=CC=C3)/N1S(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=C5)S(=O)(=O)OC6=CC=CC=C6

InChI

InChI=1S/C34H27NO5S2/c36-41(37,31-19-11-4-12-20-31)35-25-29-24-34(42(38,39)40-30-17-9-3-10-18-30)28(21-26-13-5-1-6-14-26)23-32(29)33(35)22-27-15-7-2-8-16-27/h1-20,22-24H,21,25H2/b33-22+