N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-methylsulfanyl-benzamide

Systemtic Name: N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-methylsulfanyl-benzamide Openeye Name: N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-methylsulfanyl-benzamide CAS Name: N-[3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]propyl]-2-(methylthio)benzamide IUPAC Name: N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-methylsulfanylbenzamide Traditional Name: N-[3-[4-(4-fluorophenyl)piperazino]sulfonylpropyl]-2-(methylthio)benzamide Formula: C21H26FN3O3S2 MolecularWeight: 451.577843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CSC1=CC=CC=C1C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3O3S2/c1-29-20-6-3-2-5-19(20)21(26)23-11-4-16-30(27,28)25-14-12-24(13-15-25)18-9-7-17(22)8-10-18/h2-3,5-10H,4,11-16H2,1H3,(H,23,26)