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

Systemtic Name: [4-[[(4-acetamidophenyl)sulfonyl-butan-2-yl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [4-[[(4-acetamidophenyl)sulfonyl-sec-butyl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[[(4-acetamidophenyl)sulfonyl-butan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[(4-acetamidophenyl)sulfonyl-butan-2-ylamino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[[(4-acetamidophenyl)sulfonyl-sec-butyl-amino]methyl]phenyl] ester Formula: C26H27F3N2O6S2 MolecularWeight: 584.62759

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Descriptors Computed from Structure

Canonical SMILES:

CCC(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

CCC(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/C26H27F3N2O6S2/c1-4-18(2)31(38(33,34)24-14-10-22(11-15-24)30-19(3)32)17-20-8-12-23(13-9-20)37-39(35,36)25-7-5-6-21(16-25)26(27,28)29/h5-16,18H,4,17H2,1-3H3,(H,30,32)