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

Systemtic Name: [2-methoxy-5-[(2-methoxyethylamino)methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [2-methoxy-5-[(2-methoxyethylamino)methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [2-methoxy-5-[(2-methoxyethylamino)methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[(2-methoxyethylamino)methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [2-methoxy-5-[(2-methoxyethylamino)methyl]phenyl] ester Formula: C18H20F3NO5S MolecularWeight: 419.41531

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Descriptors Computed from Structure

Canonical SMILES:

COCCNCC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

COCCNCC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C18H20F3NO5S/c1-25-9-8-22-12-13-6-7-16(26-2)17(10-13)27-28(23,24)15-5-3-4-14(11-15)18(19,20)21/h3-7,10-11,22H,8-9,12H2,1-2H3