[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 2,4,5-trimethylfuran-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 2,4,5-trimethylfuran-3-carboxylate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] 2,4,5-trimethylfuran-3-carboxylate CAS Name: 2,4,5-trimethyl-3-furancarboxylic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate Traditional Name: 2,4,5-trimethylfuran-3-carboxylic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=C(OC(=C1C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C20H24N2O6S/c1-14-15(2)28-16(3)19(14)20(24)27-13-18(23)21-9-11-22(12-10-21)29(25,26)17-7-5-4-6-8-17/h4-8H,9-13H2,1-3H3