6-[4-cyano-5-(3-methylcyclohexyl)oxy-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonic acid

Systemtic Name: 6-[4-cyano-5-(3-methylcyclohexyl)oxy-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonic acid Openeye Name: 6-[4-cyano-5-(3-methylcyclohexoxy)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonic acid CAS Name: 6-[4-cyano-5-(3-methylcyclohexyl)oxy-3-(trifluoromethyl)-1-pyrazolyl]-3-pyridinesulfonic acid IUPAC Name: 6-[4-cyano-5-(3-methylcyclohexyl)oxy-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonic acid Traditional Name: 6-[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=NC=C(C=C3)S(=O)(=O)O)C(F)(F)F)C#N

Isomeric SMILES

CC1CCCC(C1)OC2=C(C(=NN2C3=NC=C(C=C3)S(=O)(=O)O)C(F)(F)F)C#N

InChI

InChI=1S/C17H17F3N4O4S/c1-10-3-2-4-11(7-10)28-16-13(8-21)15(17(18,19)20)23-24(16)14-6-5-12(9-22-14)29(25,26)27/h5-6,9-11H,2-4,7H2,1H3,(H,25,26,27)