[1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl] 5-fluoranyl-2-methoxy-benzoate

Systemtic Name: [1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl] 5-fluoranyl-2-methoxy-benzoate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl] 5-fluoro-2-methoxy-benzoate CAS Name: 5-fluoro-2-methoxybenzoic acid [1-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] 5-fluoro-2-methoxybenzoate Traditional Name: 5-fluoro-2-methoxy-benzoic acid [2-(4-besylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C21H23FN2O6S MolecularWeight: 450.480523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=C(C=CC(=C3)F)OC

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C21H23FN2O6S/c1-15(30-21(26)18-14-16(22)8-9-19(18)29-2)20(25)23-10-12-24(13-11-23)31(27,28)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3