N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-5-sulfonamide

Systemtic Name: N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-5-sulfonamide Openeye Name: N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-oxido-2,1,3-benzoxadiazol-3-ium-5-sulfonamide CAS Name: N-[4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]phenyl]-3-oxido-2,1,3-benzoxadiazol-3-ium-5-sulfonamide IUPAC Name: N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-oxido-2,1,3-benzoxadiazol-3-ium-5-sulfonamide Traditional Name: N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-oxido-benzofurazan-3-ium-5-sulfonamide Formula: C18H16N6O8S2 MolecularWeight: 508.48504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=[N+](ON=C4C=C3)[O-])OC

Isomeric SMILES

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=[N+](ON=C4C=C3)[O-])OC

InChI

InChI=1S/C18H16N6O8S2/c1-30-17-10-16(19-18(20-17)31-2)23-33(26,27)12-5-3-11(4-6-12)22-34(28,29)13-7-8-14-15(9-13)24(25)32-21-14/h3-10,22H,1-2H3,(H,19,20,23)