[2-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-[4-(methanesulfonamido)phenyl]-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-[4-(methanesulfonamido)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(methanesulfonamido)phenyl]-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-keto-2-[4-(methanesulfonamido)phenyl]ethyl] ester Formula: C15H14N2O6S MolecularWeight: 350.34646

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=[N+]2[O-]

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C15H14N2O6S/c1-24(21,22)16-12-7-5-11(6-8-12)14(18)10-23-15(19)13-4-2-3-9-17(13)20/h2-9,16H,10H2,1H3