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

Systemtic Name: [2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-fluoranyl-5-sulfamoyl-benzoate Openeye Name: [2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-fluoro-5-sulfamoyl-benzoate CAS Name: 2-fluoro-5-sulfamoylbenzoic acid [2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-fluoro-5-sulfamoylbenzoate Traditional Name: 2-fluoro-5-sulfamoyl-benzoic acid [2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H21FN2O5S MolecularWeight: 444.475943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N)F

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N)F

InChI

InChI=1S/C22H21FN2O5S/c1-14-10-18(15(2)25(14)12-16-6-4-3-5-7-16)21(26)13-30-22(27)19-11-17(31(24,28)29)8-9-20(19)23/h3-11H,12-13H2,1-2H3,(H2,24,28,29)