[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 5-methylfuran-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 5-methylfuran-2-carboxylate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] 5-methylfuran-2-carboxylate CAS Name: 5-methyl-2-furancarboxylic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 5-methylfuran-2-carboxylate Traditional Name: 5-methylfuran-2-carboxylic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C18H20N2O6S MolecularWeight: 392.4262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(O1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H20N2O6S/c1-14-7-8-16(26-14)18(22)25-13-17(21)19-9-11-20(12-10-19)27(23,24)15-5-3-2-4-6-15/h2-8H,9-13H2,1H3