5-(cyclohexylamino)-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid

Systemtic Name: 5-(cyclohexylamino)-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid Openeye Name: 5-(cyclohexylamino)-1-(5-methylsulfonyl-2-pyridyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid CAS Name: 5-(cyclohexylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)-4-pyrazolecarboxylic acid IUPAC Name: 5-(cyclohexylamino)-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid Traditional Name: 5-(cyclohexylamino)-1-(5-mesyl-2-pyridyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid Formula: C17H19F3N4O4S MolecularWeight: 432.41737

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CN=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C(=O)O)NC3CCCCC3

Isomeric SMILES

CS(=O)(=O)C1=CN=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C(=O)O)NC3CCCCC3

InChI

InChI=1S/C17H19F3N4O4S/c1-29(27,28)11-7-8-12(21-9-11)24-15(22-10-5-3-2-4-6-10)13(16(25)26)14(23-24)17(18,19)20/h7-10,22H,2-6H2,1H3,(H,25,26)