[3-[[(4-tert-butylphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [3-[[(4-tert-butylphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [3-[[(4-tert-butylbenzoyl)-isopropyl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[[(4-tert-butylphenyl)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(4-tert-butylbenzoyl)-propan-2-ylamino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[(4-tert-butylbenzoyl)-isopropyl-amino]methyl]phenyl] ester Formula: C28H30F3NO4S MolecularWeight: 533.60231

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C28H30F3NO4S/c1-19(2)32(26(33)21-12-14-22(15-13-21)27(3,4)5)18-20-8-6-10-24(16-20)36-37(34,35)25-11-7-9-23(17-25)28(29,30)31/h6-17,19H,18H2,1-5H3