methyl 5-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C17H20FN2O5S+ MolecularWeight: 383.414503

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

COC(=O)C1=CC=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C17H19FN2O5S/c1-24-17(21)16-6-5-14(25-16)12-19-7-9-20(10-8-19)26(22,23)15-4-2-3-13(18)11-15/h2-6,11H,7-10,12H2,1H3/p+1