3-pyridin-3-yl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine

Systemtic Name: 3-pyridin-3-yl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine Openeye Name: 3-(3-pyridyl)-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine CAS Name: 3-(3-pyridinyl)-6-[4-[2-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]pyridazine IUPAC Name: 3-pyridin-3-yl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazine Traditional Name: 3-(3-pyridyl)-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazino]pyridazine Formula: C20H18F3N5O2S MolecularWeight: 449.44943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C=C2)C3=CN=CC=C3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)C3=CN=CC=C3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C20H18F3N5O2S/c21-20(22,23)16-5-1-2-6-18(16)31(29,30)28-12-10-27(11-13-28)19-8-7-17(25-26-19)15-4-3-9-24-14-15/h1-9,14H,10-13H2