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

Systemtic Name: [4-[[furan-2-ylmethyl(2-methylpropanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [4-[[2-furylmethyl(2-methylpropanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[[2-furanylmethyl-(2-methyl-1-oxopropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[furan-2-ylmethyl(2-methylpropanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[[2-furfuryl(isobutyryl)amino]methyl]phenyl] ester Formula: C23H22F3NO5S MolecularWeight: 481.48469

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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