[2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[2,5-dimethyl-1-(4-sulfamoylphenyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C20H18BrN3O5S MolecularWeight: 492.34302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C(=O)COC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C(=O)COC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C20H18BrN3O5S/c1-12-7-18(19(25)11-29-20(26)14-8-15(21)10-23-9-14)13(2)24(12)16-3-5-17(6-4-16)30(22,27)28/h3-10H,11H2,1-2H3,(H2,22,27,28)