[3-[[(3,5-dimethoxyphenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [3-[[(3,5-dimethoxyphenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [3-[[(3,5-dimethoxybenzoyl)-(2-furylmethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[[(3,5-dimethoxyphenyl)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(3,5-dimethoxybenzoyl)-(furan-2-ylmethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[(3,5-dimethoxybenzoyl)-(2-furfuryl)amino]methyl]phenyl] ester Formula: C28H24F3NO7S MolecularWeight: 575.55287

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)CC4=CC=CO4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)CC4=CC=CO4)OC

InChI

InChI=1S/C28H24F3NO7S/c1-36-24-13-20(14-25(16-24)37-2)27(33)32(18-23-9-5-11-38-23)17-19-6-3-8-22(12-19)39-40(34,35)26-10-4-7-21(15-26)28(29,30)31/h3-16H,17-18H2,1-2H3