4-[(6-fluoranylquinolin-1-ium-4-yl)amino]-N-(pyridin-3-ylmethyl)benzenesulfonamide

Systemtic Name: 4-[(6-fluoranylquinolin-1-ium-4-yl)amino]-N-(pyridin-3-ylmethyl)benzenesulfonamide Openeye Name: 4-[(6-fluoroquinolin-1-ium-4-yl)amino]-N-(3-pyridylmethyl)benzenesulfonamide CAS Name: 4-[(6-fluoro-4-quinolin-1-iumyl)amino]-N-(3-pyridinylmethyl)benzenesulfonamide IUPAC Name: 4-[(6-fluoroquinolin-1-ium-4-yl)amino]-N-(pyridin-3-ylmethyl)benzenesulfonamide Traditional Name: 4-[(6-fluoroquinolin-1-ium-4-yl)amino]-N-(3-pyridylmethyl)benzenesulfonamide Formula: C21H18FN4O2S+ MolecularWeight: 409.456623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=[NH+]C=C3)F

Isomeric SMILES

C1=CC(=CN=C1)CNS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=[NH+]C=C3)F

InChI

InChI=1S/C21H17FN4O2S/c22-16-3-8-20-19(12-16)21(9-11-24-20)26-17-4-6-18(7-5-17)29(27,28)25-14-15-2-1-10-23-13-15/h1-13,25H,14H2,(H,24,26)/p+1