3-[2,6-bis(fluoranyl)phenyl]azanidylsulfonyl-4-bromanyl-benzoate

Systemtic Name: 3-[2,6-bis(fluoranyl)phenyl]azanidylsulfonyl-4-bromanyl-benzoate Openeye Name: 4-bromo-3-(2,6-difluorophenyl)azanidylsulfonyl-benzoate CAS Name: 4-bromo-3-(2,6-difluorophenyl)azanidylsulfonylbenzoate IUPAC Name: 4-bromo-3-(2,6-difluorophenyl)azanidylsulfonylbenzoate Traditional Name: 4-bromo-3-(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=C(C=CC(=C2)C(=O)[O-])Br)F

Isomeric SMILES

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

InChI

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