3-oxidanidyl-N-(2-pyridin-2-ylethyl)-2,1,3-benzoxadiazol-3-ium-5-sulfonamide

Systemtic Name: 3-oxidanidyl-N-(2-pyridin-2-ylethyl)-2,1,3-benzoxadiazol-3-ium-5-sulfonamide Openeye Name: 3-oxido-N-[2-(2-pyridyl)ethyl]-2,1,3-benzoxadiazol-3-ium-5-sulfonamide CAS Name: 3-oxido-N-[2-(2-pyridinyl)ethyl]-2,1,3-benzoxadiazol-3-ium-5-sulfonamide IUPAC Name: 3-oxido-N-(2-pyridin-2-ylethyl)-2,1,3-benzoxadiazol-3-ium-5-sulfonamide Traditional Name: 3-oxido-N-[2-(2-pyridyl)ethyl]benzofurazan-3-ium-5-sulfonamide Formula: C13H12N4O4S MolecularWeight: 320.32378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCNS(=O)(=O)C2=CC3=[N+](ON=C3C=C2)[O-]

Isomeric SMILES

C1=CC=NC(=C1)CCNS(=O)(=O)C2=CC3=[N+](ON=C3C=C2)[O-]

InChI

InChI=1S/C13H12N4O4S/c18-17-13-9-11(4-5-12(13)16-21-17)22(19,20)15-8-6-10-3-1-2-7-14-10/h1-5,7,9,15H,6,8H2