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

Systemtic Name: phenyl (3E)-2-bromanyl-6-fluoranyl-3-(phenylmethylidene)-1H-isoindole-5-sulfonate Openeye Name: phenyl (3E)-3-benzylidene-2-bromo-6-fluoro-isoindoline-5-sulfonate CAS Name: (3E)-2-bromo-6-fluoro-3-(phenylmethylene)-1H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-3-benzylidene-2-bromo-6-fluoro-1H-isoindole-5-sulfonate Traditional Name: (3E)-3-benzal-2-bromo-6-fluoro-isoindoline-5-sulfonic acid phenyl ester Formula: C21H15BrFNO3S MolecularWeight: 460.316103

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=C(C=C2C(=CC3=CC=CC=C3)N1Br)S(=O)(=O)OC4=CC=CC=C4)F

Isomeric SMILES

C1C2=CC(=C(C=C2/C(=C\C3=CC=CC=C3)/N1Br)S(=O)(=O)OC4=CC=CC=C4)F

InChI

InChI=1S/C21H15BrFNO3S/c22-24-14-16-12-19(23)21(28(25,26)27-17-9-5-2-6-10-17)13-18(16)20(24)11-15-7-3-1-4-8-15/h1-13H,14H2/b20-11+