2-[(3-chlorophenyl)methylsulfanyl]-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-1-[4-(3-pyridylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[(3-chlorophenyl)methylthio]-1-[4-(3-pyridinylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[(3-chlorobenzyl)thio]-1-[4-(3-pyridylsulfonyl)piperazino]ethanone Formula: C18H20ClN3O3S2 MolecularWeight: 425.9527

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O3S2/c19-16-4-1-3-15(11-16)13-26-14-18(23)21-7-9-22(10-8-21)27(24,25)17-5-2-6-20-12-17/h1-6,11-12H,7-10,13-14H2