2-[(3,4-dichlorophenyl)methylsulfanyl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-1-[4-(2-thienylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[(3,4-dichlorophenyl)methylthio]-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[(3,4-dichlorobenzyl)thio]-1-[4-(2-thienylsulfonyl)piperazino]ethanone Formula: C17H18Cl2N2O3S3 MolecularWeight: 465.43742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSCC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C(=O)CSCC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H18Cl2N2O3S3/c18-14-4-3-13(10-15(14)19)11-25-12-16(22)20-5-7-21(8-6-20)27(23,24)17-2-1-9-26-17/h1-4,9-10H,5-8,11-12H2