[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3-methylbenzo[g][1]benzofuran-2-carboxylate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3-methylbenzo[g][1]benzofuran-2-carboxylate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 3-methylbenzo[g]benzofuran-2-carboxylate CAS Name: 3-methyl-2-benzo[g]benzofurancarboxylic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 3-methylbenzo[g][1]benzofuran-2-carboxylate Traditional Name: 3-methylbenzo[g]benzofuran-2-carboxylic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)OCC(=O)N4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)OCC(=O)N4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C21H22N2O6S/c1-14-16-8-7-15-5-3-4-6-17(15)20(16)29-19(14)21(25)28-13-18(24)22-9-11-23(12-10-22)30(2,26)27/h3-8H,9-13H2,1-2H3