[5-[[furan-2-ylmethyl-[4-(trifluoromethyl)phenyl]carbonyl-amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[furan-2-ylmethyl-[4-(trifluoromethyl)phenyl]carbonyl-amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[2-furylmethyl-[4-(trifluoromethyl)benzoyl]amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[2-furanylmethyl-[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[furan-2-ylmethyl-[4-(trifluoromethyl)benzoyl]amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[2-furfuryl-[4-(trifluoromethyl)benzoyl]amino]methyl]-2-methoxy-phenyl] ester Formula: C27H21F4NO6S MolecularWeight: 563.517353

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H21F4NO6S/c1-36-24-13-4-18(15-25(24)38-39(34,35)23-11-9-21(28)10-12-23)16-32(17-22-3-2-14-37-22)26(33)19-5-7-20(8-6-19)27(29,30)31/h2-15H,16-17H2,1H3