[2-[1-(3-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-chloranyl-3-sulfamoyl-benzoate

Systemtic Name: [2-[1-(3-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-chloranyl-3-sulfamoyl-benzoate Openeye Name: [2-[1-(3-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 4-chloro-3-sulfamoyl-benzoate CAS Name: 4-chloro-3-sulfamoylbenzoic acid [2-[1-(3-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate Traditional Name: 4-chloro-3-sulfamoyl-benzoic acid [2-[1-(3-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C21H18ClFN2O5S MolecularWeight: 464.894423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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