N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-fluoranyl-benzenesulfonamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-fluoranyl-benzenesulfonamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-fluoro-benzenesulfonamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-fluorobenzenesulfonamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-fluorobenzenesulfonamide Traditional Name: 2-fluoro-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzenesulfonamide Formula: C16H17FN3O4S2+ MolecularWeight: 398.452283

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C16H16FN3O4S2/c17-14-7-1-2-8-15(14)26(23,24)19-12-5-3-6-13(11-12)25(21,22)20-16-9-4-10-18-16/h1-3,5-8,11,19H,4,9-10H2,(H,18,20)/p+1