(6-fluoranylisoquinolin-2-ium-2-yl)-(4-methylphenyl)sulfonyl-azanide

Systemtic Name: (6-fluoranylisoquinolin-2-ium-2-yl)-(4-methylphenyl)sulfonyl-azanide Openeye Name: (6-fluoroisoquinolin-2-ium-2-yl)-(p-tolylsulfonyl)azanide CAS Name: (6-fluoro-2-isoquinolin-2-iumyl)-(4-methylphenyl)sulfonylazanide IUPAC Name: (6-fluoroisoquinolin-2-ium-2-yl)-(4-methylphenyl)sulfonylazanide Traditional Name: (6-fluoroisoquinolin-2-ium-2-yl)-tosyl-azanide Formula: C16H13FN2O2S MolecularWeight: 316.350023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[N-][N+]2=CC3=C(C=C2)C=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[N-][N+]2=CC3=C(C=C2)C=C(C=C3)F

InChI

InChI=1S/C16H13FN2O2S/c1-12-2-6-16(7-3-12)22(20,21)18-19-9-8-13-10-15(17)5-4-14(13)11-19/h2-11H,1H3