1-(2-pyridin-4-ylethyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine

Systemtic Name: 1-(2-pyridin-4-ylethyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine Openeye Name: 1-[2-(4-pyridyl)ethyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine CAS Name: 1-(2-pyridin-4-ylethyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine IUPAC Name: 1-(2-pyridin-4-ylethyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine Traditional Name: 1-[2-(4-pyridyl)ethyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine Formula: C18H20F3N3O2S MolecularWeight: 399.43051

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=NC=C2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CCC2=CC=NC=C2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H20F3N3O2S/c19-18(20,21)16-2-1-3-17(14-16)27(25,26)24-12-10-23(11-13-24)9-6-15-4-7-22-8-5-15/h1-5,7-8,14H,6,9-13H2