[2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methoxy-benzoate

Systemtic Name: [2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methoxy-benzoate Openeye Name: [2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-oxo-ethyl] 3-fluoro-4-methoxy-benzoate CAS Name: 3-fluoro-4-methoxybenzoic acid [2-[2,5-dimethyl-1-(4-sulfamoylphenyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-oxoethyl] 3-fluoro-4-methoxybenzoate Traditional Name: 3-fluoro-4-methoxy-benzoic acid [2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C22H21FN2O6S MolecularWeight: 460.475343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C(=O)COC(=O)C3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C(=O)COC(=O)C3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C22H21FN2O6S/c1-13-10-18(14(2)25(13)16-5-7-17(8-6-16)32(24,28)29)20(26)12-31-22(27)15-4-9-21(30-3)19(23)11-15/h4-11H,12H2,1-3H3,(H2,24,28,29)