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

Systemtic Name: N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2,5-bis(fluoranyl)benzenesulfonamide Openeye Name: N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2,5-difluoro-benzenesulfonamide CAS Name: N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2,5-difluorobenzenesulfonamide IUPAC Name: N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2,5-difluorobenzenesulfonamide Traditional Name: 2,5-difluoro-N-[4-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzenesulfonamide Formula: C16H16F2N3O4S2+ MolecularWeight: 416.442746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15F2N3O4S2/c17-11-3-8-14(18)15(10-11)27(24,25)20-12-4-6-13(7-5-12)26(22,23)21-16-2-1-9-19-16/h3-8,10,20H,1-2,9H2,(H,19,21)/p+1