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

Systemtic Name: (3E)-6-chloranyl-2-(phenylmethyl)-3-(phenylmethylidene)-5-propan-2-ylsulfonyl-1H-isoindole Openeye Name: (1E)-2-benzyl-1-benzylidene-5-chloro-6-isopropylsulfonyl-isoindoline CAS Name: (3E)-6-chloro-2-(phenylmethyl)-3-(phenylmethylene)-5-propan-2-ylsulfonyl-1H-isoindole IUPAC Name: (3E)-2-benzyl-3-benzylidene-6-chloro-5-propan-2-ylsulfonyl-1H-isoindole Traditional Name: (1E)-1-benzal-2-benzyl-5-chloro-6-isopropylsulfonyl-isoindoline Formula: C25H24ClNO2S MolecularWeight: 437.98156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C=C2CN(C(=CC3=CC=CC=C3)C2=C1)CC4=CC=CC=C4)Cl

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=C2CN(/C(=C/C3=CC=CC=C3)/C2=C1)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C25H24ClNO2S/c1-18(2)30(28,29)25-15-22-21(14-23(25)26)17-27(16-20-11-7-4-8-12-20)24(22)13-19-9-5-3-6-10-19/h3-15,18H,16-17H2,1-2H3/b24-13+