5-[3,5-bis(fluoranyl)phenyl]azanidylsulfonyl-2-chloranyl-benzoate

Systemtic Name: 5-[3,5-bis(fluoranyl)phenyl]azanidylsulfonyl-2-chloranyl-benzoate Openeye Name: 2-chloro-5-(3,5-difluorophenyl)azanidylsulfonyl-benzoate CAS Name: 2-chloro-5-(3,5-difluorophenyl)azanidylsulfonylbenzoate IUPAC Name: 2-chloro-5-(3,5-difluorophenyl)azanidylsulfonylbenzoate Traditional Name: 2-chloro-5-(3,5-difluorophenyl)azanidylsulfonyl-benzoate Formula: C13H6ClF2NO4S-2 MolecularWeight: 345.705846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)[N-]C2=CC(=CC(=C2)F)F)C(=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)[N-]C2=CC(=CC(=C2)F)F)C(=O)[O-])Cl

InChI

InChI=1S/C13H7ClF2NO4S/c14-12-2-1-10(6-11(12)13(18)19)22(20,21)17-9-4-7(15)3-8(16)5-9/h1-6H,(H,18,19)/q-1/p-1