2-(3,4-dimethoxyphenyl)-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(3,4-dimethoxyphenyl)-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(3,4-dimethoxyphenyl)ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone Traditional Name: 1-(4-besylpiperazino)-2-(3,4-dimethoxyphenyl)ethanone Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C20H24N2O5S/c1-26-18-9-8-16(14-19(18)27-2)15-20(23)21-10-12-22(13-11-21)28(24,25)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3