[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-keto-2-[4-[mesyl(methyl)amino]phenyl]ethyl] ester Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=[N+](C=C2)[O-])S(=O)(=O)C

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=[N+](C=C2)[O-])S(=O)(=O)C

InChI

InChI=1S/C16H16N2O6S/c1-17(25(2,22)23)14-5-3-12(4-6-14)15(19)11-24-16(20)13-7-9-18(21)10-8-13/h3-10H,11H2,1-2H3