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

Systemtic Name: [2-[[3-(diethylsulfamoyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[3-(diethylsulfamoyl)-4-methyl-anilino]-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-[3-(diethylsulfamoyl)-4-methyl-anilino]-2-keto-ethyl] ester Formula: C19H22BrN3O5S MolecularWeight: 484.36408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrN3O5S/c1-4-23(5-2)29(26,27)17-9-16(7-6-13(17)3)22-18(24)12-28-19(25)14-8-15(20)11-21-10-14/h6-11H,4-5,12H2,1-3H3,(H,22,24)