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

Systemtic Name: (3E)-6-fluoranyl-5-(phenylmethyl)-3-(phenylmethylidene)-2-propan-2-ylsulfonyl-1H-isoindole Openeye Name: (1E)-6-benzyl-1-benzylidene-5-fluoro-2-isopropylsulfonyl-isoindoline CAS Name: (3E)-6-fluoro-5-(phenylmethyl)-3-(phenylmethylene)-2-propan-2-ylsulfonyl-1H-isoindole IUPAC Name: (3E)-5-benzyl-3-benzylidene-6-fluoro-2-propan-2-ylsulfonyl-1H-isoindole Traditional Name: (1E)-1-benzal-6-benzyl-5-fluoro-2-isopropylsulfonyl-isoindoline Formula: C25H24FNO2S MolecularWeight: 421.526963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1CC2=CC(=C(C=C2C1=CC3=CC=CC=C3)CC4=CC=CC=C4)F

Isomeric SMILES

CC(C)S(=O)(=O)N\1CC2=CC(=C(C=C2/C1=C\C3=CC=CC=C3)CC4=CC=CC=C4)F

InChI

InChI=1S/C25H24FNO2S/c1-18(2)30(28,29)27-17-22-16-24(26)21(13-19-9-5-3-6-10-19)15-23(22)25(27)14-20-11-7-4-8-12-20/h3-12,14-16,18H,13,17H2,1-2H3/b25-14+