N-[(3E)-3-[1-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-2,4-bis(oxidanylidene)pyrrolo[1,2-b]pyridazin-3-ylidene]-1,1-bis(oxidanylidene)-4H-1$l^{6},2,4-benzothiadiazin-7-yl]methanesulfonamide

Systemtic Name: N-[(3E)-3-[1-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-2,4-bis(oxidanylidene)pyrrolo[1,2-b]pyridazin-3-ylidene]-1,1-bis(oxidanylidene)-4H-1$l^{6},2,4-benzothiadiazin-7-yl]methanesulfonamide Openeye Name: N-[(3E)-3-[1-[(3-chloro-4-fluoro-phenyl)methyl]-2,4-dioxo-pyrrolo[1,2-b]pyridazin-3-ylidene]-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-7-yl]methanesulfonamide CAS Name: N-[(3E)-3-[1-[(3-chloro-4-fluorophenyl)methyl]-2,4-dioxo-3-pyrrolo[1,2-b]pyridazinylidene]-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-7-yl]methanesulfonamide IUPAC Name: N-[(3E)-3-[1-[(3-chloro-4-fluorophenyl)methyl]-2,4-dioxopyrrolo[1,2-b]pyridazin-3-ylidene]-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-7-yl]methanesulfonamide Traditional Name: N-[(3E)-3-[1-(3-chloro-4-fluoro-benzyl)-2,4-diketo-pyrrolo[1,2-b]pyridazin-3-ylidene]-1,1-diketo-4H-1$l^{6},2,4-benzothiadiazin-7-yl]methanesulfonamide Formula: C22H17ClFN5O6S2 MolecularWeight: 565.981683

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC2=C(C=C1)NC(=C3C(=O)C4=CC=CN4N(C3=O)CC5=CC(=C(C=C5)F)Cl)NS2(=O)=O

Isomeric SMILES

CS(=O)(=O)NC1=CC2=C(C=C1)N/C(=C\3/C(=O)C4=CC=CN4N(C3=O)CC5=CC(=C(C=C5)F)Cl)/NS2(=O)=O

InChI

InChI=1S/C22H17ClFN5O6S2/c1-36(32,33)26-13-5-7-16-18(10-13)37(34,35)27-21(25-16)19-20(30)17-3-2-8-28(17)29(22(19)31)11-12-4-6-15(24)14(23)9-12/h2-10,25-27H,11H2,1H3/b21-19+