ethyl 4-[[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[[2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl]-methyl-sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-methylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-methylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[[2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl]-methyl-sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C18H21BrFN3O5S MolecularWeight: 490.343843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N(C)CC(=O)NC2=C(C=C(C=C2)Br)F)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N(C)CC(=O)NC2=C(C=C(C=C2)Br)F)C)C

InChI

InChI=1S/C18H21BrFN3O5S/c1-5-28-18(25)16-10(2)21-11(3)17(16)29(26,27)23(4)9-15(24)22-14-7-6-12(19)8-13(14)20/h6-8,21H,5,9H2,1-4H3,(H,22,24)