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

Systemtic Name: phenyl (3Z)-2-methylsulfanyl-3-(phenylmethylidene)-6-propan-2-ylsulfonyl-1H-isoindole-5-sulfonate Openeye Name: phenyl (3Z)-3-benzylidene-6-isopropylsulfonyl-2-methylsulfanyl-isoindoline-5-sulfonate CAS Name: (3Z)-2-(methylthio)-3-(phenylmethylene)-6-propan-2-ylsulfonyl-1H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (3Z)-3-benzylidene-2-methylsulfanyl-6-propan-2-ylsulfonyl-1H-isoindole-5-sulfonate Traditional Name: (3Z)-3-benzal-6-isopropylsulfonyl-2-(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)C1=C(C=C2C(=C1)CN(C2=CC3=CC=CC=C3)SC)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=C\2C(=C1)CN(/C2=C\C3=CC=CC=C3)SC)S(=O)(=O)OC4=CC=CC=C4

InChI

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