3,5-bis(fluoranyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzenesulfonamide

Systemtic Name: 3,5-bis(fluoranyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzenesulfonamide Openeye Name: 3,5-difluoro-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzenesulfonamide CAS Name: 3,5-difluoro-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: 3,5-difluoro-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzenesulfonamide Traditional Name: 3,5-difluoro-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzenesulfonamide Formula: C16H18F2N3O3S+ MolecularWeight: 370.394226

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNS(=O)(=O)C3=CC(=CC(=C3)F)F

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNS(=O)(=O)C3=CC(=CC(=C3)F)F

InChI

InChI=1S/C16H17F2N3O3S/c17-13-7-14(18)9-15(8-13)25(22,23)20-11-12-1-2-16(19-10-12)21-3-5-24-6-4-21/h1-2,7-10,20H,3-6,11H2/p+1