3-[4-(2-fluoranyl-5-methylsulfonyl-phenyl)azanidylsulfonylphenyl]propanoate

Systemtic Name: 3-[4-(2-fluoranyl-5-methylsulfonyl-phenyl)azanidylsulfonylphenyl]propanoate Openeye Name: 3-[4-(2-fluoro-5-methylsulfonyl-phenyl)azanidylsulfonylphenyl]propanoate CAS Name: 3-[4-(2-fluoro-5-methylsulfonylphenyl)azanidylsulfonylphenyl]propanoate IUPAC Name: 3-[4-(2-fluoro-5-methylsulfonylphenyl)azanidylsulfonylphenyl]propanoate Traditional Name: 3-[4-(2-fluoro-5-mesyl-phenyl)azanidylsulfonylphenyl]propionate Formula: C16H14FNO6S2-2 MolecularWeight: 399.413863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15FNO6S2/c1-25(21,22)13-7-8-14(17)15(10-13)18-26(23,24)12-5-2-11(3-6-12)4-9-16(19)20/h2-3,5-8,10H,4,9H2,1H3,(H,19,20)/q-1/p-1