methyl 3-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 3-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 3-[4-(4-fluorobenzoyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(4-fluorobenzoyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(4-fluorobenzoyl)piperazino]sulfonylbenzoic acid methyl ester Formula: C19H19FN2O5S MolecularWeight: 406.427963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19FN2O5S/c1-27-19(24)15-3-2-4-17(13-15)28(25,26)22-11-9-21(10-12-22)18(23)14-5-7-16(20)8-6-14/h2-8,13H,9-12H2,1H3