[1-oxidanylidene-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 5-chloranyl-1-benzofuran-2-carboxylate

Systemtic Name: [1-oxidanylidene-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 5-chloranyl-1-benzofuran-2-carboxylate Openeye Name: [1-methyl-2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 5-chlorobenzofuran-2-carboxylate CAS Name: 5-chloro-2-benzofurancarboxylic acid [1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 5-chloro-1-benzofuran-2-carboxylate Traditional Name: 5-chlorocoumarilic acid [2-keto-1-methyl-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] ester Formula: C20H19ClN2O6S MolecularWeight: 450.89266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2=CC3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

CC(C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2=CC3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C20H19ClN2O6S/c1-12(28-20(25)18-11-14-10-15(21)4-7-17(14)29-18)19(24)23-9-8-13-2-5-16(6-3-13)30(22,26)27/h2-7,10-12H,8-9H2,1H3,(H,23,24)(H2,22,26,27)