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

Systemtic Name: 2-(phenylmethylsulfanyl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]ethanamide Openeye Name: 2-benzylsulfanyl-N-[3-[4-(2-pyridyl)piperazin-1-yl]sulfonylpropyl]acetamide CAS Name: 2-(phenylmethylthio)-N-[3-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]propyl]acetamide IUPAC Name: 2-benzylsulfanyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide Traditional Name: 2-(benzylthio)-N-[3-[4-(2-pyridyl)piperazino]sulfonylpropyl]acetamide Formula: C21H28N4O3S2 MolecularWeight: 448.60202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O3S2/c26-21(18-29-17-19-7-2-1-3-8-19)23-11-6-16-30(27,28)25-14-12-24(13-15-25)20-9-4-5-10-22-20/h1-5,7-10H,6,11-18H2,(H,23,26)