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

Systemtic Name: phenyl (3E)-6-ethoxy-3-(phenylmethylidene)-2-(phenylsulfonyl)-1H-isoindole-5-sulfonate Openeye Name: phenyl (3E)-2-(benzenesulfonyl)-3-benzylidene-6-ethoxy-isoindoline-5-sulfonate CAS Name: (3E)-2-(benzenesulfonyl)-6-ethoxy-3-(phenylmethylene)-1H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-2-(benzenesulfonyl)-3-benzylidene-6-ethoxy-1H-isoindole-5-sulfonate Traditional Name: (3E)-3-benzal-2-besyl-6-ethoxy-isoindoline-5-sulfonic acid phenyl ester Formula: C29H25NO6S2 MolecularWeight: 547.6419

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C29H25NO6S2/c1-2-35-28-19-23-21-30(37(31,32)25-16-10-5-11-17-25)27(18-22-12-6-3-7-13-22)26(23)20-29(28)38(33,34)36-24-14-8-4-9-15-24/h3-20H,2,21H2,1H3/b27-18+