[1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate

Systemtic Name: [1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl] 4-(tetrahydrofuran-2-ylmethylsulfamoyl)benzoate CAS Name: 4-(2-oxolanylmethylsulfamoyl)benzoic acid [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate Traditional Name: 4-(tetrahydrofurfurylsulfamoyl)benzoic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H22FN3O8S MolecularWeight: 495.478083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3CCCO3

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3CCCO3

InChI

InChI=1S/C21H22FN3O8S/c1-13(20(26)24-15-6-9-18(22)19(11-15)25(28)29)33-21(27)14-4-7-17(8-5-14)34(30,31)23-12-16-3-2-10-32-16/h4-9,11,13,16,23H,2-3,10,12H2,1H3,(H,24,26)