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

Systemtic Name: phenyl (1E)-6-methylsulfanyl-1-(phenylmethylidene)-2-propan-2-ylsulfonyl-3H-isoindole-5-sulfonate Openeye Name: phenyl (1E)-1-benzylidene-2-isopropylsulfonyl-6-methylsulfanyl-isoindoline-5-sulfonate CAS Name: (1E)-6-(methylthio)-1-(phenylmethylene)-2-propan-2-ylsulfonyl-3H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (1E)-1-benzylidene-6-methylsulfanyl-2-propan-2-ylsulfonyl-3H-isoindole-5-sulfonate Traditional Name: (1E)-1-benzal-2-isopropylsulfonyl-6-(methylthio)isoindoline-5-sulfonic acid phenyl ester Formula: C25H25NO5S3 MolecularWeight: 515.6647

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1CC2=CC(=C(C=C2C1=CC3=CC=CC=C3)SC)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)N\1CC2=CC(=C(C=C2/C1=C\C3=CC=CC=C3)SC)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C25H25NO5S3/c1-18(2)33(27,28)26-17-20-15-25(34(29,30)31-21-12-8-5-9-13-21)24(32-3)16-22(20)23(26)14-19-10-6-4-7-11-19/h4-16,18H,17H2,1-3H3/b23-14+