3-[2-[bis(fluoranyl)methylsulfanyl]phenyl]azanidylsulfonylpropanoate

Systemtic Name: 3-[2-[bis(fluoranyl)methylsulfanyl]phenyl]azanidylsulfonylpropanoate Openeye Name: 3-[2-(difluoromethylsulfanyl)phenyl]azanidylsulfonylpropanoate CAS Name: 3-[2-(difluoromethylthio)phenyl]azanidylsulfonylpropanoate IUPAC Name: 3-[2-(difluoromethylsulfanyl)phenyl]azanidylsulfonylpropanoate Traditional Name: 3-[2-(difluoromethylthio)phenyl]azanidylsulfonylpropionate Formula: C10H9F2NO4S2-2 MolecularWeight: 309.309566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10F2NO4S2/c11-10(12)18-8-4-2-1-3-7(8)13-19(16,17)6-5-9(14)15/h1-4,10H,5-6H2,(H,14,15)/q-1/p-1