[5-[(furan-2-ylmethylamino)methyl]-2-methoxy-phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [5-[(furan-2-ylmethylamino)methyl]-2-methoxy-phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [5-[(2-furylmethylamino)methyl]-2-methoxy-phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [5-[(2-furanylmethylamino)methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[(furan-2-ylmethylamino)methyl]-2-methoxyphenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [5-[(2-furfurylamino)methyl]-2-methoxy-phenyl] ester Formula: C20H18F3NO5S MolecularWeight: 441.42083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNCC2=CC=CO2)OS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)CNCC2=CC=CO2)OS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H18F3NO5S/c1-27-18-8-7-14(12-24-13-16-5-3-9-28-16)10-19(18)29-30(25,26)17-6-2-4-15(11-17)20(21,22)23/h2-11,24H,12-13H2,1H3