[2-[[4-methyl-3-(methylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[[4-methyl-3-(methylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-keto-2-[4-methyl-3-(methylsulfamoyl)anilino]ethyl] ester Formula: C16H17N3O6S MolecularWeight: 379.38768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-])S(=O)(=O)NC

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-])S(=O)(=O)NC

InChI

InChI=1S/C16H17N3O6S/c1-11-3-4-13(9-14(11)26(23,24)17-2)18-15(20)10-25-16(21)12-5-7-19(22)8-6-12/h3-9,17H,10H2,1-2H3,(H,18,20)