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

Systemtic Name: [2-[[5-(diethylsulfamoyl)-2-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 2-ethoxypyridine-3-carboxylate Openeye Name: [2-[5-(diethylsulfamoyl)-2-methyl-anilino]-2-oxo-ethyl] 2-ethoxypyridine-3-carboxylate CAS Name: 2-ethoxy-3-pyridinecarboxylic acid [2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate Traditional Name: 2-ethoxynicotinic acid [2-[5-(diethylsulfamoyl)-2-methyl-anilino]-2-keto-ethyl] ester Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)COC(=O)C2=C(N=CC=C2)OCC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)COC(=O)C2=C(N=CC=C2)OCC

InChI

InChI=1S/C21H27N3O6S/c1-5-24(6-2)31(27,28)16-11-10-15(4)18(13-16)23-19(25)14-30-21(26)17-9-8-12-22-20(17)29-7-3/h8-13H,5-7,14H2,1-4H3,(H,23,25)