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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCON1CC2=CC(=C(C=C2C1=CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

CCON\1CC2=CC(=C(C=C2/C1=C/C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

InChI

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