1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylsulfanyl-ethanone Openeye Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(2-thienylsulfanyl)ethanone CAS Name: 1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-2-(thiophen-2-ylthio)ethanone IUPAC Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylsulfanylethanone Traditional Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-2-(2-thienylthio)ethanone Formula: C18H22N2O3S3 MolecularWeight: 410.57388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC=CS3

InChI

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