phenyl (1E)-2-(2-hydroxyphenyl)-1-(phenylmethylidene)-6-propan-2-ylsulfonyl-3H-isoindole-5-sulfonate

Systemtic Name: phenyl (1E)-2-(2-hydroxyphenyl)-1-(phenylmethylidene)-6-propan-2-ylsulfonyl-3H-isoindole-5-sulfonate Openeye Name: phenyl (1E)-1-benzylidene-2-(2-hydroxyphenyl)-6-isopropylsulfonyl-isoindoline-5-sulfonate CAS Name: (1E)-2-(2-hydroxyphenyl)-1-(phenylmethylene)-6-propan-2-ylsulfonyl-3H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (1E)-1-benzylidene-2-(2-hydroxyphenyl)-6-propan-2-ylsulfonyl-3H-isoindole-5-sulfonate Traditional Name: (1E)-1-benzal-2-(2-hydroxyphenyl)-6-isopropylsulfonyl-isoindoline-5-sulfonic acid phenyl ester Formula: C30H27NO6S2 MolecularWeight: 561.66848

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)C4=CC=CC=C4O)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=C2CN(/C(=C/C3=CC=CC=C3)/C2=C1)C4=CC=CC=C4O)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C30H27NO6S2/c1-21(2)38(33,34)29-19-25-23(18-30(29)39(35,36)37-24-13-7-4-8-14-24)20-31(26-15-9-10-16-28(26)32)27(25)17-22-11-5-3-6-12-22/h3-19,21,32H,20H2,1-2H3/b27-17+