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

Systemtic Name: phenyl (3E)-3-(phenylmethylidene)-2-(phenylsulfonyl)-6-propan-2-ylsulfonyl-1H-isoindole-5-sulfonate Openeye Name: phenyl (3E)-2-(benzenesulfonyl)-3-benzylidene-6-isopropylsulfonyl-isoindoline-5-sulfonate CAS Name: (3E)-2-(benzenesulfonyl)-3-(phenylmethylene)-6-propan-2-ylsulfonyl-1H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-2-(benzenesulfonyl)-3-benzylidene-6-propan-2-ylsulfonyl-1H-isoindole-5-sulfonate Traditional Name: (3E)-3-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=C2C(=C1)CN(C2=CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)OC5=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)S(=O)(=O)OC5=CC=CC=C5

InChI

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