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

Systemtic Name: phenyl (1E)-1-(phenylmethylidene)-2-(phenylsulfonyl)-6-propan-2-ylsulfonyl-3H-isoindole-5-sulfonate Openeye Name: phenyl (1E)-2-(benzenesulfonyl)-1-benzylidene-6-isopropylsulfonyl-isoindoline-5-sulfonate CAS Name: (1E)-2-(benzenesulfonyl)-1-(phenylmethylene)-6-propan-2-ylsulfonyl-3H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (1E)-2-(benzenesulfonyl)-1-benzylidene-6-propan-2-ylsulfonyl-3H-isoindole-5-sulfonate Traditional Name: (1E)-1-benzal-2-besyl-6-isopropylsulfonyl-isoindoline-5-sulfonic acid phenyl ester Formula: C30H27NO7S3 MolecularWeight: 609.73288

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

InChI

InChI=1S/C30H27NO7S3/c1-22(2)39(32,33)29-20-27-24(19-30(29)41(36,37)38-25-14-8-4-9-15-25)21-31(28(27)18-23-12-6-3-7-13-23)40(34,35)26-16-10-5-11-17-26/h3-20,22H,21H2,1-2H3/b28-18+