3,5-bis(fluoranyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzenesulfonamide

Systemtic Name: 3,5-bis(fluoranyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzenesulfonamide Openeye Name: 3,5-difluoro-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzenesulfonamide CAS Name: 3,5-difluoro-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 3,5-difluoro-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzenesulfonamide Traditional Name: 3,5-difluoro-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzenesulfonamide Formula: C18H21F2N2O2S+ MolecularWeight: 367.433346

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNS(=O)(=O)C3=CC(=CC(=C3)F)F

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNS(=O)(=O)C3=CC(=CC(=C3)F)F

InChI

InChI=1S/C18H20F2N2O2S/c19-16-9-17(20)11-18(10-16)25(23,24)21-12-14-5-1-2-6-15(14)13-22-7-3-4-8-22/h1-2,5-6,9-11,21H,3-4,7-8,12-13H2/p+1