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

Systemtic Name: [2-methoxy-5-[(2-methylpropylamino)methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [5-[(isobutylamino)methyl]-2-methoxy-phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [2-methoxy-5-[(2-methylpropylamino)methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[(2-methylpropylamino)methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [5-[(isobutylamino)methyl]-2-methoxy-phenyl] ester Formula: C19H22F3NO4S MolecularWeight: 417.44249

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNCC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(C)CNCC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C19H22F3NO4S/c1-13(2)11-23-12-14-7-8-17(26-3)18(9-14)27-28(24,25)16-6-4-5-15(10-16)19(20,21)22/h4-10,13,23H,11-12H2,1-3H3