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

Systemtic Name: 2-ethylsulfanyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]benzamide Openeye Name: 2-ethylsulfanyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]benzamide CAS Name: 2-(ethylthio)-N-[3-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonyl]propyl]benzamide IUPAC Name: 2-ethylsulfanyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]benzamide Traditional Name: 2-(ethylthio)-N-[3-[4-(2-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=CC=C3F

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F

InChI

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