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

Systemtic Name: [2-[[3-(diethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[3-(diethylsulfamoyl)anilino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-[3-(diethylsulfamoyl)anilino]-2-keto-ethyl] ester Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O6S/c1-3-21(4-2)28(25,26)16-7-5-6-15(12-16)19-17(22)13-27-18(23)14-8-10-20(24)11-9-14/h5-12H,3-4,13H2,1-2H3,(H,19,22)