2-[4-[2-(6-methylsulfinyl-2,3-dihydro-1,4-benzodioxin-2-yl)-2-oxidanyl-ethyl]piperazin-1-yl]-2-phenyl-ethanamide

Systemtic Name: 2-[4-[2-(6-methylsulfinyl-2,3-dihydro-1,4-benzodioxin-2-yl)-2-oxidanyl-ethyl]piperazin-1-yl]-2-phenyl-ethanamide Openeye Name: 2-[4-[2-hydroxy-2-(6-methylsulfinyl-2,3-dihydro-1,4-benzodioxin-2-yl)ethyl]piperazin-1-yl]-2-phenyl-acetamide CAS Name: 2-[4-[2-hydroxy-2-(6-methylsulfinyl-2,3-dihydro-1,4-benzodioxin-2-yl)ethyl]-1-piperazinyl]-2-phenylacetamide IUPAC Name: 2-[4-[2-hydroxy-2-(6-methylsulfinyl-2,3-dihydro-1,4-benzodioxin-2-yl)ethyl]piperazin-1-yl]-2-phenylacetamide Traditional Name: 2-[4-[2-hydroxy-2-(6-methylsulfinyl-2,3-dihydro-1,4-benzodioxin-2-yl)ethyl]piperazino]-2-phenyl-acetamide Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=CC2=C(C=C1)OC(CO2)C(CN3CCN(CC3)C(C4=CC=CC=C4)C(=O)N)O

Isomeric SMILES

CS(=O)C1=CC2=C(C=C1)OC(CO2)C(CN3CCN(CC3)C(C4=CC=CC=C4)C(=O)N)O

InChI

InChI=1S/C23H29N3O5S/c1-32(29)17-7-8-19-20(13-17)30-15-21(31-19)18(27)14-25-9-11-26(12-10-25)22(23(24)28)16-5-3-2-4-6-16/h2-8,13,18,21-22,27H,9-12,14-15H2,1H3,(H2,24,28)