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

Systemtic Name: phenyl (3E)-2-methoxy-6-(phenylmethyl)-3-(phenylmethylidene)-1H-isoindole-5-sulfonate Openeye Name: phenyl (3E)-6-benzyl-3-benzylidene-2-methoxy-isoindoline-5-sulfonate CAS Name: (3E)-2-methoxy-6-(phenylmethyl)-3-(phenylmethylene)-1H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-6-benzyl-3-benzylidene-2-methoxy-1H-isoindole-5-sulfonate Traditional Name: (3E)-3-benzal-6-benzyl-2-methoxy-isoindoline-5-sulfonic acid phenyl ester Formula: C29H25NO4S MolecularWeight: 483.5781

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Descriptors Computed from Structure

Canonical SMILES:

CON1CC2=CC(=C(C=C2C1=CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CON\1CC2=CC(=C(C=C2/C1=C\C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H25NO4S/c1-33-30-21-25-19-24(17-22-11-5-2-6-12-22)29(35(31,32)34-26-15-9-4-10-16-26)20-27(25)28(30)18-23-13-7-3-8-14-23/h2-16,18-20H,17,21H2,1H3/b28-18+