3-azanyl-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: 3-azanyl-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-fluoranyl-benzenesulfonamide Openeye Name: 3-amino-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-fluoro-benzenesulfonamide CAS Name: 3-amino-N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-4-fluorobenzenesulfonamide IUPAC Name: 3-amino-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-fluorobenzenesulfonamide Traditional Name: 3-amino-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-fluoro-benzenesulfonamide Formula: C13H21FN3O2S+ MolecularWeight: 302.388143

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNS(=O)(=O)C2=CC(=C(C=C2)F)N

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNS(=O)(=O)C2=CC(=C(C=C2)F)N

InChI

InChI=1S/C13H20FN3O2S/c1-2-17-7-3-4-10(17)9-16-20(18,19)11-5-6-12(14)13(15)8-11/h5-6,8,10,16H,2-4,7,9,15H2,1H3/p+1/t10-/m0/s1