2-(4-fluorophenyl)-4-[[3-(furan-2-ylmethylsulfamoyl)phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-(4-fluorophenyl)-4-[[3-(furan-2-ylmethylsulfamoyl)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-(4-fluorophenyl)-4-[3-(2-furylmethylsulfamoyl)anilino]-4-oxo-butanoic acid CAS Name: 2-(4-fluorophenyl)-4-[3-(2-furanylmethylsulfamoyl)anilino]-4-oxobutanoic acid IUPAC Name: 2-(4-fluorophenyl)-4-[3-(furan-2-ylmethylsulfamoyl)anilino]-4-oxobutanoic acid Traditional Name: 2-(4-fluorophenyl)-4-[3-(2-furfurylsulfamoyl)anilino]-4-keto-butyric acid Formula: C21H19FN2O6S MolecularWeight: 446.448763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NCC2=CC=CO2)NC(=O)CC(C3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NCC2=CC=CO2)NC(=O)CC(C3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C21H19FN2O6S/c22-15-8-6-14(7-9-15)19(21(26)27)12-20(25)24-16-3-1-5-18(11-16)31(28,29)23-13-17-4-2-10-30-17/h1-11,19,23H,12-13H2,(H,24,25)(H,26,27)