1-[(6-chloranylpyridin-3-yl)methyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine

Systemtic Name: 1-[(6-chloranylpyridin-3-yl)methyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine Openeye Name: 1-[(6-chloro-3-pyridyl)methyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine CAS Name: 1-[(6-chloro-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine IUPAC Name: 1-[(6-chloropyridin-3-yl)methyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine Traditional Name: 1-[(6-chloro-3-pyridyl)methyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine Formula: C17H17ClF3N3O2S MolecularWeight: 419.84899

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=C(C=C2)Cl)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=CN=C(C=C2)Cl)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C17H17ClF3N3O2S/c18-16-5-4-13(11-22-16)12-23-6-8-24(9-7-23)27(25,26)15-3-1-2-14(10-15)17(19,20)21/h1-5,10-11H,6-9,12H2