[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 3-fluoranyl-4-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 3-fluoranyl-4-methoxy-benzoate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] 3-fluoro-4-methoxy-benzoate CAS Name: 3-fluoro-4-methoxybenzoic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 3-fluoro-4-methoxybenzoate Traditional Name: 3-fluoro-4-methoxy-benzoic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C20H21FN2O6S MolecularWeight: 436.453943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)F

InChI

InChI=1S/C20H21FN2O6S/c1-28-18-8-7-15(13-17(18)21)20(25)29-14-19(24)22-9-11-23(12-10-22)30(26,27)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3