methyl 6-[[2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-3-(oxan-2-yl)propanoyl]amino]pyridine-3-carboxylate

Systemtic Name: methyl 6-[[2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-3-(oxan-2-yl)propanoyl]amino]pyridine-3-carboxylate Openeye Name: methyl 6-[[2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-3-tetrahydropyran-2-yl-propanoyl]amino]pyridine-3-carboxylate CAS Name: 6-[[2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-3-(2-oxanyl)-1-oxopropyl]amino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[[2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-3-(oxan-2-yl)propanoyl]amino]pyridine-3-carboxylate Traditional Name: 6-[[2-[4-mesyl-3-(trifluoromethyl)phenyl]-3-tetrahydropyran-2-yl-propanoyl]amino]nicotinic acid methyl ester Formula: C23H25F3N2O6S MolecularWeight: 514.51461

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)NC(=O)C(CC2CCCCO2)C3=CC(=C(C=C3)S(=O)(=O)C)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)NC(=O)C(CC2CCCCO2)C3=CC(=C(C=C3)S(=O)(=O)C)C(F)(F)F

InChI

InChI=1S/C23H25F3N2O6S/c1-33-22(30)15-7-9-20(27-13-15)28-21(29)17(12-16-5-3-4-10-34-16)14-6-8-19(35(2,31)32)18(11-14)23(24,25)26/h6-9,11,13,16-17H,3-5,10,12H2,1-2H3,(H,27,28,29)