[5-[[furan-2-ylmethyl-(3-methoxyphenyl)carbonyl-amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[furan-2-ylmethyl-(3-methoxyphenyl)carbonyl-amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[2-furylmethyl-(3-methoxybenzoyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[2-furanylmethyl-[(3-methoxyphenyl)-oxomethyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[furan-2-ylmethyl-(3-methoxybenzoyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[2-furfuryl(m-anisoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C27H24FNO7S MolecularWeight: 525.545363

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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)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=C3)OC)OS(=O)(=O)C4=CC=C(C=C4)F

InChI

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