N-[2,4-bis(fluoranyl)phenyl]-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2,4-difluorophenyl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2,4-difluorophenyl)-2-(4-methylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2,4-difluorophenyl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2,4-difluorophenyl)-2-(4-mesylpiperazin-1-ium-1-yl)acetamide Formula: C13H18F2N3O3S+ MolecularWeight: 334.362126

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)F)F

Isomeric SMILES

CS(=O)(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)F)F

InChI

InChI=1S/C13H17F2N3O3S/c1-22(20,21)18-6-4-17(5-7-18)9-13(19)16-12-3-2-10(14)8-11(12)15/h2-3,8H,4-7,9H2,1H3,(H,16,19)/p+1