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

Systemtic Name: N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-5-sulfonamide Openeye Name: N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-oxido-2,1,3-benzoxadiazol-3-ium-5-sulfonamide CAS Name: N-[4-[(6-methoxy-4-pyrimidinyl)sulfamoyl]phenyl]-3-oxido-2,1,3-benzoxadiazol-3-ium-5-sulfonamide IUPAC Name: N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-oxido-2,1,3-benzoxadiazol-3-ium-5-sulfonamide Traditional Name: N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-oxido-benzofurazan-3-ium-5-sulfonamide Formula: C17H14N6O7S2 MolecularWeight: 478.45906

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C17H14N6O7S2/c1-29-17-9-16(18-10-19-17)22-31(25,26)12-4-2-11(3-5-12)21-32(27,28)13-6-7-14-15(8-13)23(24)30-20-14/h2-10,21H,1H3,(H,18,19,22)