[2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-chloranyl-6-fluoranyl-benzoate

Systemtic Name: [2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-chloranyl-6-fluoranyl-benzoate Openeye Name: [2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-oxo-ethyl] 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic 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] 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid [2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C21H18ClFN2O5S MolecularWeight: 464.894423

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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=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C(=O)COC(=O)C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H18ClFN2O5S/c1-12-10-16(13(2)25(12)14-6-8-15(9-7-14)31(24,28)29)19(26)11-30-21(27)20-17(22)4-3-5-18(20)23/h3-10H,11H2,1-2H3,(H2,24,28,29)