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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3,5-bis(fluoranyl)benzenesulfonamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3,5-difluoro-benzenesulfonamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3,5-difluorobenzenesulfonamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3,5-difluorobenzenesulfonamide Traditional Name: 3,5-difluoro-N-[3-(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=CC(=C2)NS(=O)(=O)C3=CC(=CC(=C3)F)F

Isomeric SMILES

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

InChI

InChI=1S/C16H15F2N3O4S2/c17-11-7-12(18)9-15(8-11)27(24,25)20-13-3-1-4-14(10-13)26(22,23)21-16-5-2-6-19-16/h1,3-4,7-10,20H,2,5-6H2,(H,19,21)/p+1