2-[4-cyano-5-(3-methylcyclohexyl)oxy-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonic acid

Systemtic Name: 2-[4-cyano-5-(3-methylcyclohexyl)oxy-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonic acid Openeye Name: 2-[4-cyano-5-(3-methylcyclohexoxy)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonic acid CAS Name: 2-[4-cyano-5-(3-methylcyclohexyl)oxy-3-(trifluoromethyl)-1-pyrazolyl]-3-pyridinesulfonic acid IUPAC Name: 2-[4-cyano-5-(3-methylcyclohexyl)oxy-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonic acid Traditional Name: 2-[4-cyano-5-(3-methylcyclohexoxy)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonic acid Formula: C17H17F3N4O4S MolecularWeight: 430.40149

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)OC2=C(C(=NN2C3=C(C=CC=N3)S(=O)(=O)O)C(F)(F)F)C#N

Isomeric SMILES

CC1CCCC(C1)OC2=C(C(=NN2C3=C(C=CC=N3)S(=O)(=O)O)C(F)(F)F)C#N

InChI

InChI=1S/C17H17F3N4O4S/c1-10-4-2-5-11(8-10)28-16-12(9-21)14(17(18,19)20)23-24(16)15-13(29(25,26)27)6-3-7-22-15/h3,6-7,10-11H,2,4-5,8H2,1H3,(H,25,26,27)