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

Systemtic Name: [2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-[[4-(diethylsulfamoyl)benzyl]amino]-2-keto-ethyl] ester Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O6S/c1-3-22(4-2)29(26,27)17-7-5-15(6-8-17)13-20-18(23)14-28-19(24)16-9-11-21(25)12-10-16/h5-12H,3-4,13-14H2,1-2H3,(H,20,23)