[3-(trifluoromethyl)phenyl]methyl 2-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)ethanoate

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 2-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)ethanoate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 2-(4-methoxy-3-morpholinosulfonyl-phenyl)acetate CAS Name: 2-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]acetic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate Traditional Name: 2-(4-methoxy-3-morpholinosulfonyl-phenyl)acetic acid [3-(trifluoromethyl)benzyl] ester Formula: C21H22F3NO6S MolecularWeight: 473.46269

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)OCC2=CC(=CC=C2)C(F)(F)F)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)OCC2=CC(=CC=C2)C(F)(F)F)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H22F3NO6S/c1-29-18-6-5-15(12-19(18)32(27,28)25-7-9-30-10-8-25)13-20(26)31-14-16-3-2-4-17(11-16)21(22,23)24/h2-6,11-12H,7-10,13-14H2,1H3