5-(cyclopentylamino)-1-(6-methylsulfonylpyridazin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid

Systemtic Name: 5-(cyclopentylamino)-1-(6-methylsulfonylpyridazin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid Openeye Name: 5-(cyclopentylamino)-1-(6-methylsulfonylpyridazin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid CAS Name: 5-(cyclopentylamino)-1-(6-methylsulfonyl-3-pyridazinyl)-3-(trifluoromethyl)-4-pyrazolecarboxylic acid IUPAC Name: 5-(cyclopentylamino)-1-(6-methylsulfonylpyridazin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid Traditional Name: 5-(cyclopentylamino)-1-(6-mesylpyridazin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid Formula: C15H16F3N5O4S MolecularWeight: 419.37885

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NN=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C(=O)O)NC3CCCC3

Isomeric SMILES

CS(=O)(=O)C1=NN=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C(=O)O)NC3CCCC3

InChI

InChI=1S/C15H16F3N5O4S/c1-28(26,27)10-7-6-9(20-21-10)23-13(19-8-4-2-3-5-8)11(14(24)25)12(22-23)15(16,17)18/h6-8,19H,2-5H2,1H3,(H,24,25)