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

Systemtic Name: 2-ethylsulfanyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]benzamide Openeye Name: 2-ethylsulfanyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]benzamide CAS Name: 2-(ethylthio)-N-[3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]propyl]benzamide IUPAC Name: 2-ethylsulfanyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]benzamide Traditional Name: 2-(ethylthio)-N-[3-[4-(4-fluorophenyl)piperazino]sulfonylpropyl]benzamide Formula: C22H28FN3O3S2 MolecularWeight: 465.604423

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H28FN3O3S2/c1-2-30-21-7-4-3-6-20(21)22(27)24-12-5-17-31(28,29)26-15-13-25(14-16-26)19-10-8-18(23)9-11-19/h3-4,6-11H,2,5,12-17H2,1H3,(H,24,27)