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

Systemtic Name: phenyl (3E)-6-oxidanyl-3-(phenylmethylidene)-5-propan-2-ylsulfonyl-1H-isoindole-2-sulfonate Openeye Name: phenyl (1E)-1-benzylidene-5-hydroxy-6-isopropylsulfonyl-isoindoline-2-sulfonate CAS Name: (3E)-6-hydroxy-3-(phenylmethylene)-5-propan-2-ylsulfonyl-1H-isoindole-2-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-3-benzylidene-6-hydroxy-5-propan-2-ylsulfonyl-1H-isoindole-2-sulfonate Traditional Name: (1E)-1-benzal-5-hydroxy-6-isopropylsulfonyl-isoindoline-2-sulfonic acid phenyl ester Formula: C24H23NO6S2 MolecularWeight: 485.57252

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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)OC4=CC=CC=C4)O

Isomeric SMILES

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

InChI

InChI=1S/C24H23NO6S2/c1-17(2)32(27,28)24-15-21-19(14-23(24)26)16-25(22(21)13-18-9-5-3-6-10-18)33(29,30)31-20-11-7-4-8-12-20/h3-15,17,26H,16H2,1-2H3/b22-13+