N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carboxamide Openeye Name: N-[2-(2-thienylmethylsulfanyl)ethyl]-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carboxamide CAS Name: N-[2-(thiophen-2-ylmethylthio)ethyl]-4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carboxamide Traditional Name: N-[2-(2-thenylthio)ethyl]-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carboxamide Formula: C19H22F3N3O3S3 MolecularWeight: 493.58649

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)NCCSCC2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=O)NCCSCC2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H22F3N3O3S3/c20-19(21,22)15-3-5-17(6-4-15)31(27,28)25-10-8-24(9-11-25)18(26)23-7-13-29-14-16-2-1-12-30-16/h1-6,12H,7-11,13-14H2,(H,23,26)