2-[3-[4-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]sulfonylpropyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[4-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]sulfonylpropyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]sulfonylpropyl]isoindoline-1,3-dione CAS Name: 2-[3-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]sulfonylpropyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]sulfonylpropyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-(6-keto-4,5-dihydro-1H-pyridazin-3-yl)phenyl]sulfonylpropyl]isoindoline-1,3-quinone Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NN=C1C2=CC=C(C=C2)S(=O)(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CC(=O)NN=C1C2=CC=C(C=C2)S(=O)(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H19N3O5S/c25-19-11-10-18(22-23-19)14-6-8-15(9-7-14)30(28,29)13-3-12-24-20(26)16-4-1-2-5-17(16)21(24)27/h1-2,4-9H,3,10-13H2,(H,23,25)