[3-[[(3,5-dimethoxyphenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[(3,5-dimethoxyphenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(3,5-dimethoxyphenyl)carbamoyl-(2-furylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[(3,5-dimethoxyanilino)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(3,5-dimethoxyphenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(3,5-dimethoxyphenyl)carbamoyl-(2-furfuryl)amino]methyl]phenyl] ester Formula: C27H25FN2O7S MolecularWeight: 540.560003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25FN2O7S/c1-34-24-14-21(15-25(16-24)35-2)29-27(31)30(18-23-7-4-12-36-23)17-19-5-3-6-22(13-19)37-38(32,33)26-10-8-20(28)9-11-26/h3-16H,17-18H2,1-2H3,(H,29,31)