4-[(6-fluoranyl-2-methyl-quinolin-1-ium-4-yl)amino]-N-(pyridin-3-ylmethyl)benzenesulfonamide

Systemtic Name: 4-[(6-fluoranyl-2-methyl-quinolin-1-ium-4-yl)amino]-N-(pyridin-3-ylmethyl)benzenesulfonamide Openeye Name: 4-[(6-fluoro-2-methyl-quinolin-1-ium-4-yl)amino]-N-(3-pyridylmethyl)benzenesulfonamide CAS Name: 4-[(6-fluoro-2-methyl-4-quinolin-1-iumyl)amino]-N-(3-pyridinylmethyl)benzenesulfonamide IUPAC Name: 4-[(6-fluoro-2-methylquinolin-1-ium-4-yl)amino]-N-(pyridin-3-ylmethyl)benzenesulfonamide Traditional Name: 4-[(6-fluoro-2-methyl-quinolin-1-ium-4-yl)amino]-N-(3-pyridylmethyl)benzenesulfonamide Formula: C22H20FN4O2S+ MolecularWeight: 423.483203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=C(C=C(C=C2)F)C(=C1)NC3=CC=C(C=C3)S(=O)(=O)NCC4=CN=CC=C4

Isomeric SMILES

CC1=[NH+]C2=C(C=C(C=C2)F)C(=C1)NC3=CC=C(C=C3)S(=O)(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C22H19FN4O2S/c1-15-11-22(20-12-17(23)4-9-21(20)26-15)27-18-5-7-19(8-6-18)30(28,29)25-14-16-3-2-10-24-13-16/h2-13,25H,14H2,1H3,(H,26,27)/p+1