3-(3,4-dichlorophenyl)-3-(2-methyl-5-methylsulfonyl-3-oxidanylidene-1H-isoindol-1-yl)propanal

Systemtic Name: 3-(3,4-dichlorophenyl)-3-(2-methyl-5-methylsulfonyl-3-oxidanylidene-1H-isoindol-1-yl)propanal Openeye Name: 3-(3,4-dichlorophenyl)-3-(2-methyl-5-methylsulfonyl-3-oxo-isoindolin-1-yl)propanal CAS Name: 3-(3,4-dichlorophenyl)-3-(2-methyl-5-methylsulfonyl-3-oxo-1H-isoindol-1-yl)propanal IUPAC Name: 3-(3,4-dichlorophenyl)-3-(2-methyl-5-methylsulfonyl-3-oxo-1H-isoindol-1-yl)propanal Traditional Name: 3-(3,4-dichlorophenyl)-3-(3-keto-5-mesyl-2-methyl-isoindolin-1-yl)propionaldehyde Formula: C19H17Cl2NO4S MolecularWeight: 426.31358

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C2=C(C1=O)C=C(C=C2)S(=O)(=O)C)C(CC=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CN1C(C2=C(C1=O)C=C(C=C2)S(=O)(=O)C)C(CC=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H17Cl2NO4S/c1-22-18(13(7-8-23)11-3-6-16(20)17(21)9-11)14-5-4-12(27(2,25)26)10-15(14)19(22)24/h3-6,8-10,13,18H,7H2,1-2H3