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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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