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

Systemtic Name: phenyl (3E)-6-bromanyl-2-(phenylmethyl)-3-(phenylmethylidene)-1H-isoindole-5-sulfonate Openeye Name: phenyl (3E)-2-benzyl-3-benzylidene-6-bromo-isoindoline-5-sulfonate CAS Name: (3E)-6-bromo-2-(phenylmethyl)-3-(phenylmethylene)-1H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-2-benzyl-3-benzylidene-6-bromo-1H-isoindole-5-sulfonate Traditional Name: (3E)-3-benzal-2-benzyl-6-bromo-isoindoline-5-sulfonic acid phenyl ester Formula: C28H22BrNO3S MolecularWeight: 532.44818

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=C(C=C2C(=CC3=CC=CC=C3)N1CC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5)Br

Isomeric SMILES

C1C2=CC(=C(C=C2/C(=C\C3=CC=CC=C3)/N1CC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5)Br

InChI

InChI=1S/C28H22BrNO3S/c29-26-17-23-20-30(19-22-12-6-2-7-13-22)27(16-21-10-4-1-5-11-21)25(23)18-28(26)34(31,32)33-24-14-8-3-9-15-24/h1-18H,19-20H2/b27-16+