[5-(2-azaniumylethyl)-2-fluoranyl-phenyl]sulfonyl-(2-cyanophenyl)azanide

Systemtic Name: [5-(2-azaniumylethyl)-2-fluoranyl-phenyl]sulfonyl-(2-cyanophenyl)azanide Openeye Name: [5-(2-azaniumylethyl)-2-fluoro-phenyl]sulfonyl-(2-cyanophenyl)azanide CAS Name: [5-(2-ammonioethyl)-2-fluorophenyl]sulfonyl-(2-cyanophenyl)azanide IUPAC Name: [5-(2-azaniumylethyl)-2-fluorophenyl]sulfonyl-(2-cyanophenyl)azanide Traditional Name: [5-(2-ammonioethyl)-2-fluoro-phenyl]sulfonyl-(2-cyanophenyl)azanide Formula: C15H14FN3O2S MolecularWeight: 319.353963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)[N-]S(=O)(=O)C2=C(C=CC(=C2)CC[NH3+])F

Isomeric SMILES

C1=CC=C(C(=C1)C#N)[N-]S(=O)(=O)C2=C(C=CC(=C2)CC[NH3+])F

InChI

InChI=1S/C15H13FN3O2S/c16-13-6-5-11(7-8-17)9-15(13)22(20,21)19-14-4-2-1-3-12(14)10-18/h1-6,9H,7-8,17H2/q-1/p+1