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

Systemtic Name: 6-[4-cyano-5-[(3-methylidenecyclohexyl)methoxy]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonic acid Openeye Name: 6-[4-cyano-5-[(3-methylenecyclohexyl)methoxy]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonic acid CAS Name: 6-[4-cyano-5-[(3-methylenecyclohexyl)methoxy]-3-(trifluoromethyl)-1-pyrazolyl]-3-pyridinesulfonic acid IUPAC Name: 6-[4-cyano-5-[(3-methylidenecyclohexyl)methoxy]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonic acid Traditional Name: 6-[4-cyano-5-[(3-methylenecyclohexyl)methoxy]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonic acid Formula: C18H17F3N4O4S MolecularWeight: 442.41219

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Descriptors Computed from Structure

Canonical SMILES:

C=C1CCCC(C1)COC2=C(C(=NN2C3=NC=C(C=C3)S(=O)(=O)O)C(F)(F)F)C#N

Isomeric SMILES

C=C1CCCC(C1)COC2=C(C(=NN2C3=NC=C(C=C3)S(=O)(=O)O)C(F)(F)F)C#N

InChI

InChI=1S/C18H17F3N4O4S/c1-11-3-2-4-12(7-11)10-29-17-14(8-22)16(18(19,20)21)24-25(17)15-6-5-13(9-23-15)30(26,27)28/h5-6,9,12H,1-4,7,10H2,(H,26,27,28)