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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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