(2-methylsulfanylpyridin-3-yl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2-methylsulfanylpyridin-3-yl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (2-methylsulfanyl-3-pyridyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [2-(methylthio)-3-pyridinyl]-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (2-methylsulfanylpyridin-3-yl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (4-mesitylsulfonylpiperazino)-[2-(methylthio)-3-pyridyl]methanone 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)C3=C(N=CC=C3)SC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(N=CC=C3)SC)C

InChI

InChI=1S/C20H25N3O3S2/c1-14-12-15(2)18(16(3)13-14)28(25,26)23-10-8-22(9-11-23)20(24)17-6-5-7-21-19(17)27-4/h5-7,12-13H,8-11H2,1-4H3