2-[(2-methylphenyl)methylsulfanyl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(2-methylphenyl)methylsulfanyl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(o-tolylmethylsulfanyl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[(2-methylphenyl)methylthio]-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[(2-methylphenyl)methylsulfanyl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(2-methylbenzyl)thio]-1-(4-tosylpiperazino)ethanone Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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=C3C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCC3=CC=CC=C3C

InChI

InChI=1S/C21H26N2O3S2/c1-17-7-9-20(10-8-17)28(25,26)23-13-11-22(12-14-23)21(24)16-27-15-19-6-4-3-5-18(19)2/h3-10H,11-16H2,1-2H3