[2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-fluoranyl-5-sulfamoyl-benzoate

Systemtic Name: [2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-fluoranyl-5-sulfamoyl-benzoate Openeye Name: [2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 2-fluoro-5-sulfamoyl-benzoate CAS Name: 2-fluoro-5-sulfamoylbenzoic acid [2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-fluoro-5-sulfamoylbenzoate Traditional Name: 2-fluoro-5-sulfamoyl-benzoic acid [2-keto-2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C18H21FN2O6S MolecularWeight: 412.432543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCOC)C)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)F

Isomeric SMILES

CC1=CC(=C(N1CCOC)C)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)F

InChI

InChI=1S/C18H21FN2O6S/c1-11-8-14(12(2)21(11)6-7-26-3)17(22)10-27-18(23)15-9-13(28(20,24)25)4-5-16(15)19/h4-5,8-9H,6-7,10H2,1-3H3,(H2,20,24,25)