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

Systemtic Name: [2-methoxy-5-[(propan-2-ylamino)methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [5-[(isopropylamino)methyl]-2-methoxy-phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [2-methoxy-5-[(propan-2-ylamino)methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[(propan-2-ylamino)methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [5-[(isopropylamino)methyl]-2-methoxy-phenyl] ester Formula: C18H20F3NO4S MolecularWeight: 403.41591

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(C)NCC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C18H20F3NO4S/c1-12(2)22-11-13-7-8-16(25-3)17(9-13)26-27(23,24)15-6-4-5-14(10-15)18(19,20)21/h4-10,12,22H,11H2,1-3H3