1-methyl-4-[6-(phenylmethylsulfanyl)pyridin-3-yl]sulfonyl-piperazine

Systemtic Name: 1-methyl-4-[6-(phenylmethylsulfanyl)pyridin-3-yl]sulfonyl-piperazine Openeye Name: 1-[(6-benzylsulfanyl-3-pyridyl)sulfonyl]-4-methyl-piperazine CAS Name: 1-methyl-4-[[6-(phenylmethylthio)-3-pyridinyl]sulfonyl]piperazine IUPAC Name: 1-(6-benzylsulfanylpyridin-3-yl)sulfonyl-4-methylpiperazine Traditional Name: 1-[[6-(benzylthio)-3-pyridyl]sulfonyl]-4-methyl-piperazine Formula: C17H21N3O2S2 MolecularWeight: 363.49754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C17H21N3O2S2/c1-19-9-11-20(12-10-19)24(21,22)16-7-8-17(18-13-16)23-14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3