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

Systemtic Name: methyl 4-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C20H23FN3O5S+ MolecularWeight: 436.477123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN3O5S/c1-29-20(26)15-2-6-17(7-3-15)22-19(25)14-23-10-12-24(13-11-23)30(27,28)18-8-4-16(21)5-9-18/h2-9H,10-14H2,1H3,(H,22,25)/p+1