[2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(tert-butylsulfamoyl)-4-chloranyl-benzoate

Systemtic Name: [2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(tert-butylsulfamoyl)-4-chloranyl-benzoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl] 3-(tert-butylsulfamoyl)-4-chloro-benzoate CAS Name: 3-(tert-butylsulfamoyl)-4-chlorobenzoic acid [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 3-(tert-butylsulfamoyl)-4-chlorobenzoate Traditional Name: 3-(tert-butylsulfamoyl)-4-chloro-benzoic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C19H19ClFN3O7S MolecularWeight: 487.886463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H19ClFN3O7S/c1-19(2,3)23-32(29,30)16-8-11(4-6-13(16)20)18(26)31-10-17(25)22-12-5-7-14(21)15(9-12)24(27)28/h4-9,23H,10H2,1-3H3,(H,22,25)