methyl 3-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 3-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 3-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]furan-2-carboxylate CAS Name: 3-[[4-[2-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]furan-2-carboxylate Traditional Name: 3-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C18H20F3N2O5S+ MolecularWeight: 433.42201

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CO1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

COC(=O)C1=C(C=CO1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C18H19F3N2O5S/c1-27-17(24)16-13(6-11-28-16)12-22-7-9-23(10-8-22)29(25,26)15-5-3-2-4-14(15)18(19,20)21/h2-6,11H,7-10,12H2,1H3/p+1