N-[2-[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-ium-1-yl]ethyl]furan-2-carboxamide

Systemtic Name: N-[2-[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-ium-1-yl]ethyl]furan-2-carboxamide Openeye Name: N-[2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]ethyl]furan-2-carboxamide CAS Name: N-[2-[4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-piperazin-1-iumyl]ethyl]-2-furancarboxamide IUPAC Name: N-[2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]ethyl]furan-2-carboxamide Traditional Name: N-[2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]ethyl]-2-furamide Formula: C18H21F3N3O5S+ MolecularWeight: 448.43665

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)C2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)C2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C18H20F3N3O5S/c19-18(20,21)29-14-3-5-15(6-4-14)30(26,27)24-11-9-23(10-12-24)8-7-22-17(25)16-2-1-13-28-16/h1-6,13H,7-12H2,(H,22,25)/p+1