5-[2,6-bis(fluoranyl)phenyl]azanidylsulfonyl-2-bromanyl-benzoate

Systemtic Name: 5-[2,6-bis(fluoranyl)phenyl]azanidylsulfonyl-2-bromanyl-benzoate Openeye Name: 2-bromo-5-(2,6-difluorophenyl)azanidylsulfonyl-benzoate CAS Name: 2-bromo-5-(2,6-difluorophenyl)azanidylsulfonylbenzoate IUPAC Name: 2-bromo-5-(2,6-difluorophenyl)azanidylsulfonylbenzoate Traditional Name: 2-bromo-5-(2,6-difluorophenyl)azanidylsulfonyl-benzoate Formula: C13H6BrF2NO4S-2 MolecularWeight: 390.156846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H7BrF2NO4S/c14-9-5-4-7(6-8(9)13(18)19)22(20,21)17-12-10(15)2-1-3-11(12)16/h1-6H,(H,18,19)/q-1/p-1