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

Systemtic Name: [5-[[furan-2-ylmethyl-(2-methoxyphenyl)carbonyl-amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[2-furylmethyl-(2-methoxybenzoyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[2-furanylmethyl-[(2-methoxyphenyl)-oxomethyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[furan-2-ylmethyl-(2-methoxybenzoyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[2-furfuryl(o-anisoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C27H24FNO7S MolecularWeight: 525.545363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)C3=CC=CC=C3OC)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=CC=C3OC)OS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H24FNO7S/c1-33-24-8-4-3-7-23(24)27(30)29(18-21-6-5-15-35-21)17-19-9-14-25(34-2)26(16-19)36-37(31,32)22-12-10-20(28)11-13-22/h3-16H,17-18H2,1-2H3