[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-(6-methoxy-1-benzofuran-3-yl)ethanoate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-(6-methoxy-1-benzofuran-3-yl)ethanoate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 2-(6-methoxybenzofuran-3-yl)acetate CAS Name: 2-(6-methoxy-3-benzofuranyl)acetic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate Traditional Name: 2-(6-methoxybenzofuran-3-yl)acetic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C18H22N2O7S MolecularWeight: 410.44148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC(=O)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC(=O)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C18H22N2O7S/c1-25-14-3-4-15-13(11-26-16(15)10-14)9-18(22)27-12-17(21)19-5-7-20(8-6-19)28(2,23)24/h3-4,10-11H,5-9,12H2,1-2H3