[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3-phenylfuran-2-carboxylate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3-phenylfuran-2-carboxylate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 3-phenylfuran-2-carboxylate CAS Name: 3-phenyl-2-furancarboxylic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 3-phenylfuran-2-carboxylate Traditional Name: 3-phenylfuran-2-carboxylic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)C2=C(C=CO2)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)C2=C(C=CO2)C3=CC=CC=C3

InChI

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