[(2R)-1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-(ethylsulfamoyl)-2-methyl-benzoate

Systemtic Name: [(2R)-1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-(ethylsulfamoyl)-2-methyl-benzoate Openeye Name: [(1R)-2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl] 5-(ethylsulfamoyl)-2-methyl-benzoate CAS Name: 5-(ethylsulfamoyl)-2-methylbenzoic acid [(2R)-1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 5-(ethylsulfamoyl)-2-methylbenzoate Traditional Name: 5-(ethylsulfamoyl)-2-methyl-benzoic acid [(1R)-2-(4-fluoro-3-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C19H20FN3O7S MolecularWeight: 453.441403

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Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)(=O)C1=CC(=C(C=C1)C)C(=O)OC(C)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CCNS(=O)(=O)C1=CC(=C(C=C1)C)C(=O)O[C@H](C)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C19H20FN3O7S/c1-4-21-31(28,29)14-7-5-11(2)15(10-14)19(25)30-12(3)18(24)22-13-6-8-16(20)17(9-13)23(26)27/h5-10,12,21H,4H2,1-3H3,(H,22,24)/t12-/m1/s1