(3-morpholin-4-ylsulfonylphenyl)methyl 6-(trifluoromethyl)pyridine-3-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 6-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 6-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 6-(trifluoromethyl)-3-pyridinecarboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 6-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 6-(trifluoromethyl)nicotinic acid (3-morpholinosulfonylbenzyl) ester Formula: C18H17F3N2O5S MolecularWeight: 430.39819

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=CN=C(C=C3)C(F)(F)F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=CN=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H17F3N2O5S/c19-18(20,21)16-5-4-14(11-22-16)17(24)28-12-13-2-1-3-15(10-13)29(25,26)23-6-8-27-9-7-23/h1-5,10-11H,6-9,12H2