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

Systemtic Name: (3E)-6-methylsulfanyl-3-(phenylmethylidene)-2-(phenylsulfonyl)-5-propan-2-ylsulfonyl-1H-isoindole Openeye Name: (1E)-2-(benzenesulfonyl)-1-benzylidene-6-isopropylsulfonyl-5-methylsulfanyl-isoindoline CAS Name: (3E)-2-(benzenesulfonyl)-6-(methylthio)-3-(phenylmethylene)-5-propan-2-ylsulfonyl-1H-isoindole IUPAC Name: (3E)-2-(benzenesulfonyl)-3-benzylidene-6-methylsulfanyl-5-propan-2-ylsulfonyl-1H-isoindole Traditional Name: (1E)-1-benzal-2-besyl-6-isopropylsulfonyl-5-(methylthio)isoindoline Formula: C25H25NO4S3 MolecularWeight: 499.6653

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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)SC

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)SC

InChI

InChI=1S/C25H25NO4S3/c1-18(2)32(27,28)25-16-22-20(15-24(25)31-3)17-26(23(22)14-19-10-6-4-7-11-19)33(29,30)21-12-8-5-9-13-21/h4-16,18H,17H2,1-3H3/b23-14+