2-methylsulfanyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide

Systemtic Name: 2-methylsulfanyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide Openeye Name: 2-methylsulfanyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide CAS Name: 2-(methylthio)-N-[2-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]sulfonyl]ethyl]benzamide IUPAC Name: 2-methylsulfanyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide Traditional Name: 2-(methylthio)-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazino]sulfonylethyl]benzamide Formula: C21H24F3N3O3S2 MolecularWeight: 487.55877

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24F3N3O3S2/c1-31-19-8-3-2-7-18(19)20(28)25-9-14-32(29,30)27-12-10-26(11-13-27)17-6-4-5-16(15-17)21(22,23)24/h2-8,15H,9-14H2,1H3,(H,25,28)