5-bromanyl-2-(4-methylsulfonyl-1-morpholin-4-yl-1-oxidanylidene-butan-2-yl)isoindole-1,3-dione

Systemtic Name: 5-bromanyl-2-(4-methylsulfonyl-1-morpholin-4-yl-1-oxidanylidene-butan-2-yl)isoindole-1,3-dione Openeye Name: 5-bromo-2-[3-methylsulfonyl-1-(morpholine-4-carbonyl)propyl]isoindoline-1,3-dione CAS Name: 5-bromo-2-[4-methylsulfonyl-1-(4-morpholinyl)-1-oxobutan-2-yl]isoindole-1,3-dione IUPAC Name: 5-bromo-2-(4-methylsulfonyl-1-morpholin-4-yl-1-oxobutan-2-yl)isoindole-1,3-dione Traditional Name: 5-bromo-2-[3-mesyl-1-(morpholine-4-carbonyl)propyl]isoindoline-1,3-quinone Formula: C17H19BrN2O6S MolecularWeight: 459.31156

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)N1CCOCC1)N2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)N1CCOCC1)N2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C17H19BrN2O6S/c1-27(24,25)9-4-14(17(23)19-5-7-26-8-6-19)20-15(21)12-3-2-11(18)10-13(12)16(20)22/h2-3,10,14H,4-9H2,1H3