(3E)-6-fluoranyl-5-(phenylmethyl)-3-(phenylmethylidene)-2-(phenylsulfonyl)-1H-isoindole

Systemtic Name: (3E)-6-fluoranyl-5-(phenylmethyl)-3-(phenylmethylidene)-2-(phenylsulfonyl)-1H-isoindole Openeye Name: (1E)-2-(benzenesulfonyl)-6-benzyl-1-benzylidene-5-fluoro-isoindoline CAS Name: (3E)-2-(benzenesulfonyl)-6-fluoro-5-(phenylmethyl)-3-(phenylmethylene)-1H-isoindole IUPAC Name: (3E)-2-(benzenesulfonyl)-5-benzyl-3-benzylidene-6-fluoro-1H-isoindole Traditional Name: (1E)-1-benzal-6-benzyl-2-besyl-5-fluoro-isoindoline Formula: C28H22FNO2S MolecularWeight: 455.543183

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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)CC5=CC=CC=C5)F

Isomeric SMILES

C1C2=CC(=C(C=C2/C(=C\C3=CC=CC=C3)/N1S(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=C5)F

InChI

InChI=1S/C28H22FNO2S/c29-27-19-24-20-30(33(31,32)25-14-8-3-9-15-25)28(17-22-12-6-2-7-13-22)26(24)18-23(27)16-21-10-4-1-5-11-21/h1-15,17-19H,16,20H2/b28-17+