N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]acetamide CAS Name: N-[3-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonyl]propyl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]acetamide Traditional Name: 2-(benzylthio)-N-[3-[4-(2-fluorophenyl)piperazino]sulfonylpropyl]acetamide Formula: C22H28FN3O3S2 MolecularWeight: 465.604423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)S(=O)(=O)CCCNC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)S(=O)(=O)CCCNC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C22H28FN3O3S2/c23-20-9-4-5-10-21(20)25-12-14-26(15-13-25)31(28,29)16-6-11-24-22(27)18-30-17-19-7-2-1-3-8-19/h1-5,7-10H,6,11-18H2,(H,24,27)