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

Systemtic Name: 1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylsulfanyl-ethanone Openeye Name: 1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-(2-thienylsulfanyl)ethanone CAS Name: 1-[4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazinyl]-2-(thiophen-2-ylthio)ethanone IUPAC Name: 1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylsulfanylethanone Traditional Name: 1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazino]-2-(2-thienylthio)ethanone Formula: C18H22N2O5S3 MolecularWeight: 442.57268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC=CS3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC=CS3

InChI

InChI=1S/C18H22N2O5S3/c1-24-14-5-6-15(25-2)16(12-14)28(22,23)20-9-7-19(8-10-20)17(21)13-27-18-4-3-11-26-18/h3-6,11-12H,7-10,13H2,1-2H3