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

Systemtic Name: phenyl (1E)-1-(phenylmethylidene)-2,6-bis(propan-2-ylsulfonyl)-3H-isoindole-5-sulfonate Openeye Name: phenyl (1E)-1-benzylidene-2,6-bis(isopropylsulfonyl)isoindoline-5-sulfonate CAS Name: (1E)-1-(phenylmethylene)-2,6-bis(propan-2-ylsulfonyl)-3H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (1E)-1-benzylidene-2,6-bis(propan-2-ylsulfonyl)-3H-isoindole-5-sulfonate Traditional Name: (1E)-1-benzal-2,6-bis(isopropylsulfonyl)isoindoline-5-sulfonic acid phenyl ester Formula: C27H29NO7S3 MolecularWeight: 575.71666

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)S(=O)(=O)C(C)C)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=C2CN(/C(=C/C3=CC=CC=C3)/C2=C1)S(=O)(=O)C(C)C)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C27H29NO7S3/c1-19(2)36(29,30)26-17-24-22(16-27(26)38(33,34)35-23-13-9-6-10-14-23)18-28(37(31,32)20(3)4)25(24)15-21-11-7-5-8-12-21/h5-17,19-20H,18H2,1-4H3/b25-15+