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

Systemtic Name: 2-(2,5-dimethylphenyl)sulfanyl-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(2,5-dimethylphenyl)sulfanyl-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 1-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-[(2,5-dimethylphenyl)thio]ethanone IUPAC Name: 2-(2,5-dimethylphenyl)sulfanyl-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-2-[(2,5-dimethylphenyl)thio]ethanone Formula: C22H28N2O3S2 MolecularWeight: 432.59932

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S2/c1-16-6-8-21(19(4)13-16)29(26,27)24-11-9-23(10-12-24)22(25)15-28-20-14-17(2)5-7-18(20)3/h5-8,13-14H,9-12,15H2,1-4H3