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

Systemtic Name: phenyl (1E)-6-methoxy-1-(phenylmethylidene)-2-(phenylsulfonyl)-3H-isoindole-5-sulfonate Openeye Name: phenyl (1E)-2-(benzenesulfonyl)-1-benzylidene-6-methoxy-isoindoline-5-sulfonate CAS Name: (1E)-2-(benzenesulfonyl)-6-methoxy-1-(phenylmethylene)-3H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (1E)-2-(benzenesulfonyl)-1-benzylidene-6-methoxy-3H-isoindole-5-sulfonate Traditional Name: (1E)-1-benzal-2-besyl-6-methoxy-isoindoline-5-sulfonic acid phenyl ester Formula: C28H23NO6S2 MolecularWeight: 533.61532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C28H23NO6S2/c1-34-27-19-25-22(18-28(27)37(32,33)35-23-13-7-3-8-14-23)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+