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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1CSCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S2/c1-18-7-5-6-10-20(18)15-27-16-21(24)22-11-13-23(14-12-22)28(25,26)17-19-8-3-2-4-9-19/h2-10H,11-17H2,1H3