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

Systemtic Name: (3E)-5-(phenylmethyl)-3-(phenylmethylidene)-2-(phenylsulfonyl)-6-propan-2-ylsulfonyl-1H-isoindole Openeye Name: (1E)-2-(benzenesulfonyl)-6-benzyl-1-benzylidene-5-isopropylsulfonyl-isoindoline CAS Name: (3E)-2-(benzenesulfonyl)-5-(phenylmethyl)-3-(phenylmethylene)-6-propan-2-ylsulfonyl-1H-isoindole IUPAC Name: (3E)-2-(benzenesulfonyl)-5-benzyl-3-benzylidene-6-propan-2-ylsulfonyl-1H-isoindole Traditional Name: (1E)-1-benzal-6-benzyl-2-besyl-5-isopropylsulfonyl-isoindoline Formula: C31H29NO4S2 MolecularWeight: 543.69626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C=C2C(=C1)CN(C2=CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=C\2C(=C1)CN(/C2=C/C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C31H29NO4S2/c1-23(2)37(33,34)31-21-27-22-32(38(35,36)28-16-10-5-11-17-28)30(19-25-14-8-4-9-15-25)29(27)20-26(31)18-24-12-6-3-7-13-24/h3-17,19-21,23H,18,22H2,1-2H3/b30-19+