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

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

InChI

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