[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] 2-(5,6-dimethylbenzofuran-3-yl)acetate CAS Name: 2-(5,6-dimethyl-3-benzofuranyl)acetic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(5,6-dimethylbenzofuran-3-yl)acetic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C24H26N2O6S MolecularWeight: 470.53804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CO2)CC(=O)OCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CO2)CC(=O)OCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C24H26N2O6S/c1-17-12-21-19(15-31-22(21)13-18(17)2)14-24(28)32-16-23(27)25-8-10-26(11-9-25)33(29,30)20-6-4-3-5-7-20/h3-7,12-13,15H,8-11,14,16H2,1-2H3