[1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl] 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid [2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl] ester Formula: C22H22FN3O5S MolecularWeight: 459.490583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C22H22FN3O5S/c1-13-12-20(14(2)26(13)18-8-4-16(23)5-9-18)22(28)31-15(3)21(27)25-17-6-10-19(11-7-17)32(24,29)30/h4-12,15H,1-3H3,(H,25,27)(H2,24,29,30)