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

Systemtic Name: 2-[4-cyano-5-[(4-methylidenecyclohexyl)methoxy]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonic acid Openeye Name: 2-[4-cyano-5-[(4-methylenecyclohexyl)methoxy]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonic acid CAS Name: 2-[4-cyano-5-[(4-methylenecyclohexyl)methoxy]-3-(trifluoromethyl)-1-pyrazolyl]-3-pyridinesulfonic acid IUPAC Name: 2-[4-cyano-5-[(4-methylidenecyclohexyl)methoxy]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonic acid Traditional Name: 2-[4-cyano-5-[(4-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=C1CCC(CC1)COC2=C(C(=NN2C3=C(C=CC=N3)S(=O)(=O)O)C(F)(F)F)C#N

Isomeric SMILES

C=C1CCC(CC1)COC2=C(C(=NN2C3=C(C=CC=N3)S(=O)(=O)O)C(F)(F)F)C#N

InChI

InChI=1S/C18H17F3N4O4S/c1-11-4-6-12(7-5-11)10-29-17-13(9-22)15(18(19,20)21)24-25(17)16-14(30(26,27)28)3-2-8-23-16/h2-3,8,12H,1,4-7,10H2,(H,26,27,28)