(2-methoxy-2-oxidanylidene-ethyl) 4-chloranyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzoate

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl) 4-chloranyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzoate Openeye Name: (2-methoxy-2-oxo-ethyl) 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzoate CAS Name: 4-chloro-3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid (2-methoxy-2-oxoethyl) ester IUPAC Name: (2-methoxy-2-oxoethyl) 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[4-(4-fluorophenyl)piperazino]sulfonyl-benzoic acid (2-keto-2-methoxy-ethyl) ester Formula: C20H20ClFN2O6S MolecularWeight: 470.899003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClFN2O6S/c1-29-19(25)13-30-20(26)14-2-7-17(21)18(12-14)31(27,28)24-10-8-23(9-11-24)16-5-3-15(22)4-6-16/h2-7,12H,8-11,13H2,1H3