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

Systemtic Name: [4-[(propan-2-ylamino)methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [4-[(isopropylamino)methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[(propan-2-ylamino)methyl]phenyl] ester IUPAC Name: [4-[(propan-2-ylamino)methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[(isopropylamino)methyl]phenyl] ester Formula: C17H18F3NO3S MolecularWeight: 373.38993

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18F3NO3S/c1-12(2)21-11-13-6-8-15(9-7-13)24-25(22,23)16-5-3-4-14(10-16)17(18,19)20/h3-10,12,21H,11H2,1-2H3