2-(3,4-dimethylphenyl)sulfanyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-1-[4-(2-thienylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[(3,4-dimethylphenyl)thio]-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[(3,4-dimethylphenyl)thio]-1-[4-(2-thienylsulfonyl)piperazino]ethanone Formula: C18H22N2O3S3 MolecularWeight: 410.57388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3)C

InChI

InChI=1S/C18H22N2O3S3/c1-14-5-6-16(12-15(14)2)25-13-17(21)19-7-9-20(10-8-19)26(22,23)18-4-3-11-24-18/h3-6,11-12H,7-10,13H2,1-2H3