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

Systemtic Name: [3-[[butanoyl(furan-2-ylmethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [3-[[butanoyl(2-furylmethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[2-furanylmethyl(1-oxobutyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[butanoyl(furan-2-ylmethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[butyryl(2-furfuryl)amino]methyl]phenyl] ester Formula: C23H22F3NO5S MolecularWeight: 481.48469

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22F3NO5S/c1-2-6-22(28)27(16-20-10-5-12-31-20)15-17-7-3-9-19(13-17)32-33(29,30)21-11-4-8-18(14-21)23(24,25)26/h3-5,7-14H,2,6,15-16H2,1H3