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

Systemtic Name: 6-[4-cyano-5-[(3-methylidenecyclopentyl)methoxy]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonic acid Openeye Name: 6-[4-cyano-5-[(3-methylenecyclopentyl)methoxy]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonic acid CAS Name: 6-[4-cyano-5-[(3-methylenecyclopentyl)methoxy]-3-(trifluoromethyl)-1-pyrazolyl]-3-pyridinesulfonic acid IUPAC Name: 6-[4-cyano-5-[(3-methylidenecyclopentyl)methoxy]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonic acid Traditional Name: 6-[4-cyano-5-[(3-methylenecyclopentyl)methoxy]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonic acid Formula: C17H15F3N4O4S MolecularWeight: 428.38561

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Descriptors Computed from Structure

Canonical SMILES:

C=C1CCC(C1)COC2=C(C(=NN2C3=NC=C(C=C3)S(=O)(=O)O)C(F)(F)F)C#N

Isomeric SMILES

C=C1CCC(C1)COC2=C(C(=NN2C3=NC=C(C=C3)S(=O)(=O)O)C(F)(F)F)C#N

InChI

InChI=1S/C17H15F3N4O4S/c1-10-2-3-11(6-10)9-28-16-13(7-21)15(17(18,19)20)23-24(16)14-5-4-12(8-22-14)29(25,26)27/h4-5,8,11H,1-3,6,9H2,(H,25,26,27)