[3-[[cyclohexylcarbonyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[cyclohexylcarbonyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[cyclohexanecarbonyl(2-furylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[cyclohexyl(oxo)methyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[cyclohexanecarbonyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[cyclohexanecarbonyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C25H26FNO5S MolecularWeight: 471.541043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CO4

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CO4

InChI

InChI=1S/C25H26FNO5S/c26-21-11-13-24(14-12-21)33(29,30)32-22-9-4-6-19(16-22)17-27(18-23-10-5-15-31-23)25(28)20-7-2-1-3-8-20/h4-6,9-16,20H,1-3,7-8,17-18H2