[2-[bis(fluoranyl)methylsulfanyl]phenyl]-piperazin-4-ium-1-ylsulfonyl-azanide

Systemtic Name: [2-[bis(fluoranyl)methylsulfanyl]phenyl]-piperazin-4-ium-1-ylsulfonyl-azanide Openeye Name: [2-(difluoromethylsulfanyl)phenyl]-piperazin-4-ium-1-ylsulfonyl-azanide CAS Name: [2-(difluoromethylthio)phenyl]-(1-piperazin-4-iumylsulfonyl)azanide IUPAC Name: [2-(difluoromethylsulfanyl)phenyl]-piperazin-4-ium-1-ylsulfonylazanide Traditional Name: [2-(difluoromethylthio)phenyl]-piperazin-4-ium-1-ylsulfonyl-azanide Formula: C11H15F2N3O2S2 MolecularWeight: 323.382506

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)S(=O)(=O)[N-]C2=CC=CC=C2SC(F)F

Isomeric SMILES

C1CN(CC[NH2+]1)S(=O)(=O)[N-]C2=CC=CC=C2SC(F)F

InChI

InChI=1S/C11H14F2N3O2S2/c12-11(13)19-10-4-2-1-3-9(10)15-20(17,18)16-7-5-14-6-8-16/h1-4,11,14H,5-8H2/q-1/p+1