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

Systemtic Name: (3E)-6-methylsulfanyl-3-(phenylmethylidene)-2,5-bis(propan-2-ylsulfonyl)-1H-isoindole Openeye Name: (1E)-1-benzylidene-2,6-bis(isopropylsulfonyl)-5-methylsulfanyl-isoindoline CAS Name: (3E)-6-(methylthio)-3-(phenylmethylene)-2,5-bis(propan-2-ylsulfonyl)-1H-isoindole IUPAC Name: (3E)-3-benzylidene-6-methylsulfanyl-2,5-bis(propan-2-ylsulfonyl)-1H-isoindole Traditional Name: (1E)-1-benzal-2,6-bis(isopropylsulfonyl)-5-(methylthio)isoindoline Formula: C22H27NO4S3 MolecularWeight: 465.64908

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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)C(C)C)SC

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4S3/c1-15(2)29(24,25)22-13-19-18(12-21(22)28-5)14-23(30(26,27)16(3)4)20(19)11-17-9-7-6-8-10-17/h6-13,15-16H,14H2,1-5H3/b20-11+