[4-[(2-methylpropylamino)methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [4-[(2-methylpropylamino)methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [4-[(isobutylamino)methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[(2-methylpropylamino)methyl]phenyl] ester IUPAC Name: [4-[(2-methylpropylamino)methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[(isobutylamino)methyl]phenyl] ester Formula: C18H20F3NO3S MolecularWeight: 387.41651

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20F3NO3S/c1-13(2)11-22-12-14-6-8-16(9-7-14)25-26(23,24)17-5-3-4-15(10-17)18(19,20)21/h3-10,13,22H,11-12H2,1-2H3