3-(2-fluoranyl-5-methylsulfonyl-phenyl)azanidylsulfonyl-4-methoxy-benzoate

Systemtic Name: 3-(2-fluoranyl-5-methylsulfonyl-phenyl)azanidylsulfonyl-4-methoxy-benzoate Openeye Name: 3-(2-fluoro-5-methylsulfonyl-phenyl)azanidylsulfonyl-4-methoxy-benzoate CAS Name: 3-(2-fluoro-5-methylsulfonylphenyl)azanidylsulfonyl-4-methoxybenzoate IUPAC Name: 3-(2-fluoro-5-methylsulfonylphenyl)azanidylsulfonyl-4-methoxybenzoate Traditional Name: 3-(2-fluoro-5-mesyl-phenyl)azanidylsulfonyl-4-methoxy-benzoate Formula: C15H12FNO7S2-2 MolecularWeight: 401.386683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)[O-])S(=O)(=O)[N-]C2=C(C=CC(=C2)S(=O)(=O)C)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[O-])S(=O)(=O)[N-]C2=C(C=CC(=C2)S(=O)(=O)C)F

InChI

InChI=1S/C15H13FNO7S2/c1-24-13-6-3-9(15(18)19)7-14(13)26(22,23)17-12-8-10(25(2,20)21)4-5-11(12)16/h3-8H,1-2H3,(H,18,19)/q-1/p-1