methyl 2-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]acetate CAS Name: 2-[[2-[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]acetate Traditional Name: 2-[[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]acetic acid methyl ester Formula: C15H21FN3O5S+ MolecularWeight: 374.407743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20FN3O5S/c1-24-15(21)10-17-14(20)11-18-6-8-19(9-7-18)25(22,23)13-4-2-12(16)3-5-13/h2-5H,6-11H2,1H3,(H,17,20)/p+1