2-[(3,5-dimethylphenyl)methylsulfanyl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[(3,5-dimethylphenyl)methylthio]-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(3,5-dimethylbenzyl)thio]-1-(4-tosylpiperazino)ethanone Formula: C22H28N2O3S2 MolecularWeight: 432.59932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCC3=CC(=CC(=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C22H28N2O3S2/c1-17-4-6-21(7-5-17)29(26,27)24-10-8-23(9-11-24)22(25)16-28-15-20-13-18(2)12-19(3)14-20/h4-7,12-14H,8-11,15-16H2,1-3H3