[1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate

Systemtic Name: [1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate Openeye Name: [1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 4-(2-furylmethylsulfamoyl)benzoate CAS Name: 4-(2-furanylmethylsulfamoyl)benzoic acid [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate Traditional Name: 4-(2-furfurylsulfamoyl)benzoic acid [2-keto-1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester Formula: C22H18F3N3O8S MolecularWeight: 541.45383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)OC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)OC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3

InChI

InChI=1S/C22H18F3N3O8S/c1-13(20(29)27-19-9-6-15(28(31)32)11-18(19)22(23,24)25)36-21(30)14-4-7-17(8-5-14)37(33,34)26-12-16-3-2-10-35-16/h2-11,13,26H,12H2,1H3,(H,27,29)