1-[4-(phenylsulfonyl)piperazin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(phenylsulfonyl)piperazin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-(4-besylpiperazino)-2-(2-pyrimidylthio)ethanone Formula: C16H18N4O3S2 MolecularWeight: 378.46912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O3S2/c21-15(13-24-16-17-7-4-8-18-16)19-9-11-20(12-10-19)25(22,23)14-5-2-1-3-6-14/h1-8H,9-13H2