5-(butan-2-ylamino)-1-(6-methylsulfonylpyridin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid

Systemtic Name: 5-(butan-2-ylamino)-1-(6-methylsulfonylpyridin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid Openeye Name: 1-(6-methylsulfonyl-3-pyridyl)-5-(sec-butylamino)-3-(trifluoromethyl)pyrazole-4-carboxylic acid CAS Name: 5-(butan-2-ylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)-4-pyrazolecarboxylic acid IUPAC Name: 5-(butan-2-ylamino)-1-(6-methylsulfonylpyridin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid Traditional Name: 1-(6-mesyl-3-pyridyl)-5-(sec-butylamino)-3-(trifluoromethyl)pyrazole-4-carboxylic acid Formula: C15H17F3N4O4S MolecularWeight: 406.38009

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C15H17F3N4O4S/c1-4-8(2)20-13-11(14(23)24)12(15(16,17)18)21-22(13)9-5-6-10(19-7-9)27(3,25)26/h5-8,20H,4H2,1-3H3,(H,23,24)