2-(phenylmethylsulfanyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]ethanamide

Systemtic Name: 2-(phenylmethylsulfanyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]ethanamide Openeye Name: 2-benzylsulfanyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide CAS Name: 2-(phenylmethylthio)-N-[3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]propyl]acetamide IUPAC Name: 2-benzylsulfanyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide Traditional Name: 2-(benzylthio)-N-[3-[4-(2-pyrimidyl)piperazino]sulfonylpropyl]acetamide Formula: C20H27N5O3S2 MolecularWeight: 449.59008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)CCCNC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)CCCNC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C20H27N5O3S2/c26-19(17-29-16-18-6-2-1-3-7-18)21-10-5-15-30(27,28)25-13-11-24(12-14-25)20-22-8-4-9-23-20/h1-4,6-9H,5,10-17H2,(H,21,26)