[5-[[(2,6-dimethoxyphenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[(2,6-dimethoxyphenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[(2,6-dimethoxybenzoyl)-(2-furylmethyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[[(2,6-dimethoxyphenyl)-oxomethyl]-(2-furanylmethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(2,6-dimethoxybenzoyl)-(furan-2-ylmethyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[(2,6-dimethoxybenzoyl)-(2-furfuryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C28H26FNO8S MolecularWeight: 555.571343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26FNO8S/c1-34-23-14-9-19(16-26(23)38-39(32,33)22-12-10-20(29)11-13-22)17-30(18-21-6-5-15-37-21)28(31)27-24(35-2)7-4-8-25(27)36-3/h4-16H,17-18H2,1-3H3