1-[5-(butan-2-ylamino)-1-(6-methylsulfonylpyridin-3-yl)-3-(trifluoromethyl)pyrazol-4-yl]ethanone

Systemtic Name: 1-[5-(butan-2-ylamino)-1-(6-methylsulfonylpyridin-3-yl)-3-(trifluoromethyl)pyrazol-4-yl]ethanone Openeye Name: 1-[1-(6-methylsulfonyl-3-pyridyl)-5-(sec-butylamino)-3-(trifluoromethyl)pyrazol-4-yl]ethanone CAS Name: 1-[5-(butan-2-ylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)-4-pyrazolyl]ethanone IUPAC Name: 1-[5-(butan-2-ylamino)-1-(6-methylsulfonylpyridin-3-yl)-3-(trifluoromethyl)pyrazol-4-yl]ethanone Traditional Name: 1-[1-(6-mesyl-3-pyridyl)-5-(sec-butylamino)-3-(trifluoromethyl)pyrazol-4-yl]ethanone Formula: C16H19F3N4O3S MolecularWeight: 404.40727

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=C(C(=NN1C2=CN=C(C=C2)S(=O)(=O)C)C(F)(F)F)C(=O)C

Isomeric SMILES

CCC(C)NC1=C(C(=NN1C2=CN=C(C=C2)S(=O)(=O)C)C(F)(F)F)C(=O)C

InChI

InChI=1S/C16H19F3N4O3S/c1-5-9(2)21-15-13(10(3)24)14(16(17,18)19)22-23(15)11-6-7-12(20-8-11)27(4,25)26/h6-9,21H,5H2,1-4H3