(3-morpholin-4-ylsulfonylphenyl)methyl 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3,5-bis(trifluoromethyl)benzoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid (3-morpholinosulfonylbenzyl) ester Formula: C20H17F6NO5S MolecularWeight: 497.408099

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17F6NO5S/c21-19(22,23)15-9-14(10-16(11-15)20(24,25)26)18(28)32-12-13-2-1-3-17(8-13)33(29,30)27-4-6-31-7-5-27/h1-3,8-11H,4-7,12H2