2-(2,5-dimethylphenyl)sulfanyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(2,5-dimethylphenyl)sulfanyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(2,5-dimethylphenyl)sulfanyl-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[(2,5-dimethylphenyl)thio]-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(2,5-dimethylphenyl)sulfanyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(2,5-dimethylphenyl)thio]-1-(4-tosylpiperazino)ethanone Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=C(C=CC(=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C21H26N2O3S2/c1-16-5-8-19(9-6-16)28(25,26)23-12-10-22(11-13-23)21(24)15-27-20-14-17(2)4-7-18(20)3/h4-9,14H,10-13,15H2,1-3H3