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

Systemtic Name: [3-[[(4-methylphenyl)sulfonyl-propan-2-yl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [3-[[isopropyl(p-tolylsulfonyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[(4-methylphenyl)sulfonyl-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(4-methylphenyl)sulfonyl-propan-2-ylamino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[isopropyl(tosyl)amino]methyl]phenyl] ester Formula: C24H24F3NO5S2 MolecularWeight: 527.57627

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C(C)C

InChI

InChI=1S/C24H24F3NO5S2/c1-17(2)28(34(29,30)22-12-10-18(3)11-13-22)16-19-6-4-8-21(14-19)33-35(31,32)23-9-5-7-20(15-23)24(25,26)27/h4-15,17H,16H2,1-3H3