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

Systemtic Name: [5-[[(3,5-dimethoxyphenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [5-[[(3,5-dimethoxybenzoyl)-(2-furylmethyl)amino]methyl]-2-methoxy-phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [5-[[[(3,5-dimethoxyphenyl)-oxomethyl]-(2-furanylmethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(3,5-dimethoxybenzoyl)-(furan-2-ylmethyl)amino]methyl]-2-methoxyphenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [5-[[(3,5-dimethoxybenzoyl)-(2-furfuryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C29H26F3NO8S MolecularWeight: 605.57885

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)C3=CC(=CC(=C3)OC)OC)OS(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)C3=CC(=CC(=C3)OC)OC)OS(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C29H26F3NO8S/c1-37-23-13-20(14-24(16-23)38-2)28(34)33(18-22-7-5-11-40-22)17-19-9-10-26(39-3)27(12-19)41-42(35,36)25-8-4-6-21(15-25)29(30,31)32/h4-16H,17-18H2,1-3H3