[2-[[2-chloranyl-5-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[[2-chloranyl-5-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-keto-ethyl] ester Formula: C16H16ClN3O6S MolecularWeight: 413.83274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O6S/c1-19(2)27(24,25)12-3-4-13(17)14(9-12)18-15(21)10-26-16(22)11-5-7-20(23)8-6-11/h3-9H,10H2,1-2H3,(H,18,21)