(2-methylsulfanylpyridin-3-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2-methylsulfanylpyridin-3-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (2-methylsulfanyl-3-pyridyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [2-(methylthio)-3-pyridinyl]-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (2-methylsulfanylpyridin-3-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [2-(methylthio)-3-pyridyl]-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazino]methanone Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(N=CC=C3)SC)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(N=CC=C3)SC)C)C

InChI

InChI=1S/C21H27N3O3S2/c1-14-13-15(2)17(4)19(16(14)3)29(26,27)24-11-9-23(10-12-24)21(25)18-7-6-8-22-20(18)28-5/h6-8,13H,9-12H2,1-5H3