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

Systemtic Name: 2-pyridin-2-ylsulfanyl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(2-pyridylsulfanyl)-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(2-pyridinylthio)-1-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-pyridin-2-ylsulfanyl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 1-(4-mesitylsulfonylpiperazino)-2-(2-pyridylthio)ethanone Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S2/c1-15-12-16(2)20(17(3)13-15)28(25,26)23-10-8-22(9-11-23)19(24)14-27-18-6-4-5-7-21-18/h4-7,12-13H,8-11,14H2,1-3H3