2-(6-methyl-1-benzofuran-3-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(6-methyl-1-benzofuran-3-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(6-methylbenzofuran-3-yl)ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(6-methyl-3-benzofuranyl)ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone Traditional Name: 1-(4-besylpiperazino)-2-(6-methylbenzofuran-3-yl)ethanone Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O4S/c1-16-7-8-19-17(15-27-20(19)13-16)14-21(24)22-9-11-23(12-10-22)28(25,26)18-5-3-2-4-6-18/h2-8,13,15H,9-12,14H2,1H3