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

Systemtic Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-5-sulfonamide Openeye Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-oxido-2,1,3-benzoxadiazol-3-ium-5-sulfonamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]-3-oxido-2,1,3-benzoxadiazol-3-ium-5-sulfonamide IUPAC Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-oxido-2,1,3-benzoxadiazol-3-ium-5-sulfonamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-oxido-benzofurazan-3-ium-5-sulfonamide Formula: C18H16N6O6S2 MolecularWeight: 476.48624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=[N+](ON=C4C=C3)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=[N+](ON=C4C=C3)[O-])C

InChI

InChI=1S/C18H16N6O6S2/c1-11-9-12(2)20-18(19-11)23-31(26,27)14-5-3-13(4-6-14)22-32(28,29)15-7-8-16-17(10-15)24(25)30-21-16/h3-10,22H,1-2H3,(H,19,20,23)