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

Systemtic Name: [5-(2-azaniumylethyl)-2-fluoranyl-phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: [5-(2-azaniumylethyl)-2-fluoro-phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: [5-(2-ammonioethyl)-2-fluorophenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [5-(2-azaniumylethyl)-2-fluorophenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: [5-(2-ammonioethyl)-2-fluoro-phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C12H13FN4O2S MolecularWeight: 296.320623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12FN4O2S/c13-10-3-2-9(4-5-14)8-11(10)20(18,19)17-12-15-6-1-7-16-12/h1-3,6-8H,4-5,14H2/q-1/p+1