4-fluoranyl-3-pyrimidin-2-ylazanidylsulfonyl-benzoate

Systemtic Name: 4-fluoranyl-3-pyrimidin-2-ylazanidylsulfonyl-benzoate Openeye Name: 4-fluoro-3-pyrimidin-2-ylazanidylsulfonyl-benzoate CAS Name: 4-fluoro-3-(2-pyrimidinylazanidylsulfonyl)benzoate IUPAC Name: 4-fluoro-3-pyrimidin-2-ylazanidylsulfonylbenzoate Traditional Name: 4-fluoro-3-(2-pyrimidylazanidylsulfonyl)benzoate Formula: C11H6FN3O4S-2 MolecularWeight: 295.246443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8FN3O4S/c12-8-3-2-7(10(16)17)6-9(8)20(18,19)15-11-13-4-1-5-14-11/h1-6H,(H2,13,14,15,16,17)/p-2