N,N-diethyl-2-[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N,N-diethyl-2-[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N,N-diethyl-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N,N-diethyl-2-[4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N,N-diethyl-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N,N-diethyl-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C17H25F3N3O4S+ MolecularWeight: 424.45831

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24F3N3O4S/c1-3-22(4-2)16(24)13-21-9-11-23(12-10-21)28(25,26)15-7-5-14(6-8-15)27-17(18,19)20/h5-8H,3-4,9-13H2,1-2H3/p+1