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

Systemtic Name: phenyl (3E)-6-bromanyl-3-(phenylmethylidene)-2-(phenylsulfonyl)-1H-isoindole-5-sulfonate Openeye Name: phenyl (3E)-2-(benzenesulfonyl)-3-benzylidene-6-bromo-isoindoline-5-sulfonate CAS Name: (3E)-2-(benzenesulfonyl)-6-bromo-3-(phenylmethylene)-1H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-2-(benzenesulfonyl)-3-benzylidene-6-bromo-1H-isoindole-5-sulfonate Traditional Name: (3E)-3-benzal-2-besyl-6-bromo-isoindoline-5-sulfonic acid phenyl ester Formula: C27H20BrNO5S2 MolecularWeight: 582.4854

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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)S(=O)(=O)OC5=CC=CC=C5)Br

Isomeric SMILES

C1C2=CC(=C(C=C2/C(=C\C3=CC=CC=C3)/N1S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5)Br

InChI

InChI=1S/C27H20BrNO5S2/c28-25-17-21-19-29(35(30,31)23-14-8-3-9-15-23)26(16-20-10-4-1-5-11-20)24(21)18-27(25)36(32,33)34-22-12-6-2-7-13-22/h1-18H,19H2/b26-16+