[2-[(5-fluoranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(3-nitrophenyl)sulfonyloxybenzoate

Systemtic Name: [2-[(5-fluoranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(3-nitrophenyl)sulfonyloxybenzoate Openeye Name: [2-(5-fluoro-2-methyl-anilino)-2-oxo-ethyl] 4-(3-nitrophenyl)sulfonyloxybenzoate CAS Name: 4-(3-nitrophenyl)sulfonyloxybenzoic acid [2-(5-fluoro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 4-(3-nitrophenyl)sulfonyloxybenzoate Traditional Name: 4-(3-nitrophenyl)sulfonyloxybenzoic acid [2-(5-fluoro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C22H17FN2O8S MolecularWeight: 488.442383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)NC(=O)COC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)F)NC(=O)COC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H17FN2O8S/c1-14-5-8-16(23)11-20(14)24-21(26)13-32-22(27)15-6-9-18(10-7-15)33-34(30,31)19-4-2-3-17(12-19)25(28)29/h2-12H,13H2,1H3,(H,24,26)