[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 3-(2-furylmethylsulfamoyl)benzoate CAS Name: 3-(2-furanylmethylsulfamoyl)benzoic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate Traditional Name: 3-(2-furfurylsulfamoyl)benzoic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester 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)C(=O)OCC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NCC2=CC=CO2)C(=O)OCC(=O)NCC3=CC=C(C=C3)F

InChI

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