[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-methylsulfonylbenzoate

Systemtic Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-methylsulfonylbenzoate Openeye Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl] ester Formula: C20H21FN2O5S MolecularWeight: 420.454543

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN2O5S/c1-29(26,27)18-5-3-2-4-17(18)20(25)28-14-19(24)23-12-10-22(11-13-23)16-8-6-15(21)7-9-16/h2-9H,10-14H2,1H3