2-(1,3-benzodioxol-5-yloxy)-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzodioxol-5-yloxy)-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(1,3-benzodioxol-5-yloxy)ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(1,3-benzodioxol-5-yloxy)ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(1,3-benzodioxol-5-yloxy)ethanone Traditional Name: 2-(1,3-benzodioxol-5-yloxy)-1-(4-besylpiperazino)ethanone Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)COC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H20N2O6S/c22-19(13-25-15-6-7-17-18(12-15)27-14-26-17)20-8-10-21(11-9-20)28(23,24)16-4-2-1-3-5-16/h1-7,12H,8-11,13-14H2