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

Systemtic Name: [4-[[(4-acetamidophenyl)sulfonyl-propan-2-yl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [4-[[(4-acetamidophenyl)sulfonyl-isopropyl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[[(4-acetamidophenyl)sulfonyl-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[(4-acetamidophenyl)sulfonyl-propan-2-ylamino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[[(4-acetamidophenyl)sulfonyl-isopropyl-amino]methyl]phenyl] ester Formula: C25H25F3N2O6S2 MolecularWeight: 570.60101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25F3N2O6S2/c1-17(2)30(37(32,33)23-13-9-21(10-14-23)29-18(3)31)16-19-7-11-22(12-8-19)36-38(34,35)24-6-4-5-20(15-24)25(26,27)28/h4-15,17H,16H2,1-3H3,(H,29,31)