N,N-dimethyl-2-[3-(4-methylsulfonylphenyl)-4-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanamine

Systemtic Name: N,N-dimethyl-2-[3-(4-methylsulfonylphenyl)-4-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanamine Openeye Name: N,N-dimethyl-2-[3-(4-methylsulfonylphenyl)-4-(4-pyridyl)-5-(trifluoromethyl)pyrazol-1-yl]ethanamine CAS Name: N,N-dimethyl-2-[3-(4-methylsulfonylphenyl)-4-pyridin-4-yl-5-(trifluoromethyl)-1-pyrazolyl]ethanamine IUPAC Name: N,N-dimethyl-2-[3-(4-methylsulfonylphenyl)-4-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanamine Traditional Name: 2-[3-(4-mesylphenyl)-4-(4-pyridyl)-5-(trifluoromethyl)pyrazol-1-yl]ethyl-dimethyl-amine Formula: C20H21F3N4O2S MolecularWeight: 438.46655

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=NC=C3)C(F)(F)F

Isomeric SMILES

CN(C)CCN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=NC=C3)C(F)(F)F

InChI

InChI=1S/C20H21F3N4O2S/c1-26(2)12-13-27-19(20(21,22)23)17(14-8-10-24-11-9-14)18(25-27)15-4-6-16(7-5-15)30(3,28)29/h4-11H,12-13H2,1-3H3