1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenoxy)ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenoxy)ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[4-(1-piperidylsulfonyl)phenoxy]ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-[4-(1-piperidinylsulfonyl)phenoxy]ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenoxy)ethanone Traditional Name: 2-(4-piperidinosulfonylphenoxy)-1-(4-piperonylpiperazino)ethanone Formula: C25H31N3O6S MolecularWeight: 501.59514

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H31N3O6S/c29-25(18-32-21-5-7-22(8-6-21)35(30,31)28-10-2-1-3-11-28)27-14-12-26(13-15-27)17-20-4-9-23-24(16-20)34-19-33-23/h4-9,16H,1-3,10-15,17-19H2