[2-[[4-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-[[4-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[4-(dimethylsulfamoyl)anilino]-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-[4-(dimethylsulfamoyl)anilino]-2-keto-ethyl] ester Formula: C16H16BrN3O5S MolecularWeight: 442.28434

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C16H16BrN3O5S/c1-20(2)26(23,24)14-5-3-13(4-6-14)19-15(21)10-25-16(22)11-7-12(17)9-18-8-11/h3-9H,10H2,1-2H3,(H,19,21)