2-[4-[4-[bis(fluoranyl)methylsulfonyl]phenyl]carbonylpiperazin-1-ium-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-[4-[bis(fluoranyl)methylsulfonyl]phenyl]carbonylpiperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[4-(difluoromethylsulfonyl)benzoyl]piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[[4-(difluoromethylsulfonyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-[4-(difluoromethylsulfonyl)benzoyl]piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-[4-(difluoromethylsulfonyl)benzoyl]piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C17H24F2N3O4S+ MolecularWeight: 404.451966

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)C(F)F

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)C(F)F

InChI

InChI=1S/C17H23F2N3O4S/c1-2-7-20-15(23)12-21-8-10-22(11-9-21)16(24)13-3-5-14(6-4-13)27(25,26)17(18)19/h3-6,17H,2,7-12H2,1H3,(H,20,23)/p+1