2-[[4-bromanyl-3-(3-fluorophenyl)azanidylsulfonyl-phenyl]carbonylamino]benzoate

Systemtic Name: 2-[[4-bromanyl-3-(3-fluorophenyl)azanidylsulfonyl-phenyl]carbonylamino]benzoate Openeye Name: 2-[[4-bromo-3-(3-fluorophenyl)azanidylsulfonyl-benzoyl]amino]benzoate CAS Name: 2-[[[4-bromo-3-(3-fluorophenyl)azanidylsulfonylphenyl]-oxomethyl]amino]benzoate IUPAC Name: 2-[[4-bromo-3-(3-fluorophenyl)azanidylsulfonylbenzoyl]amino]benzoate Traditional Name: 2-[[4-bromo-3-(3-fluorophenyl)azanidylsulfonyl-benzoyl]amino]benzoate Formula: C20H12BrFN2O5S-2 MolecularWeight: 491.287083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])NC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)[N-]C3=CC(=CC=C3)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])NC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)[N-]C3=CC(=CC=C3)F

InChI

InChI=1S/C20H13BrFN2O5S/c21-16-9-8-12(19(25)23-17-7-2-1-6-15(17)20(26)27)10-18(16)30(28,29)24-14-5-3-4-13(22)11-14/h1-11H,(H,23,25)(H,26,27)/q-1/p-1