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

Systemtic Name: (2-methylsulfanylphenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (2-methylsulfanylphenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [2-(methylthio)phenyl]-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (2-methylsulfanylphenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (4-mesitylsulfonylpiperazino)-[2-(methylthio)phenyl]methanone Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3SC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3SC)C

InChI

InChI=1S/C21H26N2O3S2/c1-15-13-16(2)20(17(3)14-15)28(25,26)23-11-9-22(10-12-23)21(24)18-7-5-6-8-19(18)27-4/h5-8,13-14H,9-12H2,1-4H3