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

Systemtic Name: [2-[[4-(diethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-[4-(diethylsulfamoyl)anilino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-[4-(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=C(C=C1)NC(=O)COC(=O)C2=CC=CC=[N+]2[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC=[N+]2[O-]

InChI

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