[2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate

Systemtic Name: [2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate Openeye Name: [2-(3-fluoro-4-methoxy-phenyl)-2-oxo-ethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate CAS Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid [2-(3-fluoro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C22H17FN2O8S MolecularWeight: 488.442383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])F

InChI

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