methanesulfonic acid; 2-(pyridin-3-ylcarbonylamino)ethyl 1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-carboxylate

Systemtic Name: methanesulfonic acid; 2-(pyridin-3-ylcarbonylamino)ethyl 1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-carboxylate Openeye Name: methanesulfonic acid; 2-(pyridine-3-carbonylamino)ethyl 1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxylate CAS Name: methanesulfonic acid; 1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxylic acid 2-[[oxo(3-pyridinyl)methyl]amino]ethyl ester IUPAC Name: methanesulfonic acid; 2-(pyridine-3-carbonylamino)ethyl 1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxylate Traditional Name: mesylic acid; 1-oxidobenzofurazan-1-ium-5-carboxylic acid 2-nicotinamidoethyl ester Formula: C16H16N4O8S MolecularWeight: 424.38524

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC(=CN=C1)C(=O)NCCOC(=O)C2=CC3=NO[N+](=C3C=C2)[O-]

Isomeric SMILES

CS(=O)(=O)O.C1=CC(=CN=C1)C(=O)NCCOC(=O)C2=CC3=NO[N+](=C3C=C2)[O-]

InChI

InChI=1S/C15H12N4O5.CH4O3S/c20-14(11-2-1-5-16-9-11)17-6-7-23-15(21)10-3-4-13-12(8-10)18-24-19(13)22;1-5(2,3)4/h1-5,8-9H,6-7H2,(H,17,20);1H3,(H,2,3,4)