[2-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-fluoranyl-benzoate

Systemtic Name: [2-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-fluoranyl-benzoate Openeye Name: [2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxo-ethyl] 5-bromo-2-fluoro-benzoate CAS Name: 5-bromo-2-fluorobenzoic acid [2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxoethyl] 5-bromo-2-fluorobenzoate Traditional Name: 5-bromo-2-fluoro-benzoic acid [2-keto-2-[3-(1-pyrrolin-2-ylsulfamoyl)anilino]ethyl] ester Formula: C19H17BrFN3O5S MolecularWeight: 498.322783

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=C(C=CC(=C3)Br)F

Isomeric SMILES

C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C19H17BrFN3O5S/c20-12-6-7-16(21)15(9-12)19(26)29-11-18(25)23-13-3-1-4-14(10-13)30(27,28)24-17-5-2-8-22-17/h1,3-4,6-7,9-10H,2,5,8,11H2,(H,22,24)(H,23,25)