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

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-(6-methyl-1-benzofuran-3-yl)ethanoate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 2-(6-methylbenzofuran-3-yl)acetate CAS Name: 2-(6-methyl-3-benzofuranyl)acetic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(6-methylbenzofuran-3-yl)acetic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC(=O)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC(=O)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C18H22N2O6S/c1-13-3-4-15-14(11-25-16(15)9-13)10-18(22)26-12-17(21)19-5-7-20(8-6-19)27(2,23)24/h3-4,9,11H,5-8,10,12H2,1-2H3