[3-[[furan-2-ylmethyl(hexanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [3-[[furan-2-ylmethyl(hexanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [3-[[2-furylmethyl(hexanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[2-furanylmethyl(1-oxohexyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl(hexanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[caproyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C25H26F3NO5S MolecularWeight: 509.53785

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)CC3=CC=CO3

Isomeric SMILES

CCCCCC(=O)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)CC3=CC=CO3

InChI

InChI=1S/C25H26F3NO5S/c1-2-3-4-13-24(30)29(18-22-11-7-14-33-22)17-19-8-5-10-21(15-19)34-35(31,32)23-12-6-9-20(16-23)25(26,27)28/h5-12,14-16H,2-4,13,17-18H2,1H3