methyl 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethylcarbamoyl]benzoate

Systemtic Name: methyl 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethylcarbamoyl]benzoate Openeye Name: methyl 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethylcarbamoyl]benzoate CAS Name: 2-[[2-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]ethylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethylcarbamoyl]benzoate Traditional Name: 2-[2-[4-(4-fluorophenyl)piperazino]sulfonylethylcarbamoyl]benzoic acid methyl ester Formula: C21H24FN3O5S MolecularWeight: 449.495763

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN3O5S/c1-30-21(27)19-5-3-2-4-18(19)20(26)23-10-15-31(28,29)25-13-11-24(12-14-25)17-8-6-16(22)7-9-17/h2-9H,10-15H2,1H3,(H,23,26)