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

Systemtic Name: 1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-[(3-methylphenyl)methylsulfanyl]ethanone Openeye Name: 1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-(m-tolylmethylsulfanyl)ethanone CAS Name: 1-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-2-[(3-methylphenyl)methylthio]ethanone IUPAC Name: 1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-[(3-methylphenyl)methylsulfanyl]ethanone Traditional Name: 1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]-2-[(3-methylbenzyl)thio]ethanone Formula: C22H28N2O5S2 MolecularWeight: 464.59812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5S2/c1-17-5-4-6-18(13-17)15-30-16-22(25)23-9-11-24(12-10-23)31(26,27)19-7-8-20(28-2)21(14-19)29-3/h4-8,13-14H,9-12,15-16H2,1-3H3