[1-[(2-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(diethylsulfamoyl)benzoate

Systemtic Name: [1-[(2-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(diethylsulfamoyl)benzoate Openeye Name: [2-(2-chloro-4-fluoro-anilino)-1-methyl-2-oxo-ethyl] 3-(diethylsulfamoyl)benzoate CAS Name: 3-(diethylsulfamoyl)benzoic acid [1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 3-(diethylsulfamoyl)benzoate Traditional Name: 3-(diethylsulfamoyl)benzoic acid [2-(2-chloro-4-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H22ClFN2O5S MolecularWeight: 456.915483

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)OC(C)C(=O)NC2=C(C=C(C=C2)F)Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)OC(C)C(=O)NC2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C20H22ClFN2O5S/c1-4-24(5-2)30(27,28)16-8-6-7-14(11-16)20(26)29-13(3)19(25)23-18-10-9-15(22)12-17(18)21/h6-13H,4-5H2,1-3H3,(H,23,25)