2-pyrimidin-2-ylsulfanyl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-pyrimidin-2-ylsulfanyl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-pyrimidin-2-ylsulfanyl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(2-pyrimidinylthio)-1-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-pyrimidin-2-ylsulfanyl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 1-(4-mesitylsulfonylpiperazino)-2-(2-pyrimidylthio)ethanone Formula: C19H24N4O3S2 MolecularWeight: 420.54886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC=CC=N3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC=CC=N3)C

InChI

InChI=1S/C19H24N4O3S2/c1-14-11-15(2)18(16(3)12-14)28(25,26)23-9-7-22(8-10-23)17(24)13-27-19-20-5-4-6-21-19/h4-6,11-12H,7-10,13H2,1-3H3