1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-(4-p-cumenylsulfonylpiperazino)-2-(2-pyrimidylthio)ethanone Formula: C19H24N4O3S2 MolecularWeight: 420.54886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C19H24N4O3S2/c1-15(2)16-4-6-17(7-5-16)28(25,26)23-12-10-22(11-13-23)18(24)14-27-19-20-8-3-9-21-19/h3-9,15H,10-14H2,1-2H3