1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]-2-(2-pyrimidylthio)ethanone Formula: C18H20N4O5S2 MolecularWeight: 436.5052

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC=CC=N2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC=CC=N2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C18H20N4O5S2/c23-17(13-28-18-19-4-1-5-20-18)21-6-8-22(9-7-21)29(24,25)14-2-3-15-16(12-14)27-11-10-26-15/h1-5,12H,6-11,13H2