4-[5,7-bis(oxidanylidene)pyrrolo[3,4-b]pyridin-6-yl]-6-chloranyl-benzene-1,3-disulfonamide

Systemtic Name: 4-[5,7-bis(oxidanylidene)pyrrolo[3,4-b]pyridin-6-yl]-6-chloranyl-benzene-1,3-disulfonamide Openeye Name: 4-chloro-6-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)benzene-1,3-disulfonamide CAS Name: 4-chloro-6-(5,7-dioxo-6-pyrrolo[3,4-b]pyridinyl)benzene-1,3-disulfonamide IUPAC Name: 4-chloro-6-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)benzene-1,3-disulfonamide Traditional Name: 4-chloro-6-(5,7-diketopyrrolo[3,4-b]pyridin-6-yl)benzene-1,3-disulfonamide Formula: C13H9ClN4O6S2 MolecularWeight: 416.81676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=O)N(C2=O)C3=CC(=C(C=C3S(=O)(=O)N)S(=O)(=O)N)Cl)N=C1

Isomeric SMILES

C1=CC2=C(C(=O)N(C2=O)C3=CC(=C(C=C3S(=O)(=O)N)S(=O)(=O)N)Cl)N=C1

InChI

InChI=1S/C13H9ClN4O6S2/c14-7-4-8(10(26(16,23)24)5-9(7)25(15,21)22)18-12(19)6-2-1-3-17-11(6)13(18)20/h1-5H,(H2,15,21,22)(H2,16,23,24)