N-(2-phenylsulfanylethyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-(2-phenylsulfanylethyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carboxamide Openeye Name: N-(2-phenylsulfanylethyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carboxamide CAS Name: N-[2-(phenylthio)ethyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinecarboxamide IUPAC Name: N-(2-phenylsulfanylethyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carboxamide Traditional Name: N-[2-(phenylthio)ethyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carboxamide Formula: C20H22F3N3O3S2 MolecularWeight: 473.53219

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)NCCSC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=O)NCCSC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H22F3N3O3S2/c21-20(22,23)16-5-4-8-18(15-16)31(28,29)26-12-10-25(11-13-26)19(27)24-9-14-30-17-6-2-1-3-7-17/h1-8,15H,9-14H2,(H,24,27)