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

Systemtic Name: [3-[[(4-tert-butylphenyl)sulfonyl-propan-2-yl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [3-[[(4-tert-butylphenyl)sulfonyl-isopropyl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[(4-tert-butylphenyl)sulfonyl-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(4-tert-butylphenyl)sulfonyl-propan-2-ylamino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[(4-tert-butylphenyl)sulfonyl-isopropyl-amino]methyl]phenyl] ester Formula: C27H30F3NO5S2 MolecularWeight: 569.65601

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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)S(=O)(=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)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C27H30F3NO5S2/c1-19(2)31(37(32,33)24-14-12-21(13-15-24)26(3,4)5)18-20-8-6-10-23(16-20)36-38(34,35)25-11-7-9-22(17-25)27(28,29)30/h6-17,19H,18H2,1-5H3