[5-[[tert-butylcarbamoyl(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[tert-butylcarbamoyl(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[tert-butylcarbamoyl(2-furylmethyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[[(tert-butylamino)-oxomethyl]-(2-furanylmethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[tert-butylcarbamoyl(furan-2-ylmethyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[tert-butylcarbamoyl(2-furfuryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C24H27FN2O6S MolecularWeight: 490.544383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)CC3=CC=CO3

Isomeric SMILES

CC(C)(C)NC(=O)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)CC3=CC=CO3

InChI

InChI=1S/C24H27FN2O6S/c1-24(2,3)26-23(28)27(16-19-6-5-13-32-19)15-17-7-12-21(31-4)22(14-17)33-34(29,30)20-10-8-18(25)9-11-20/h5-14H,15-16H2,1-4H3,(H,26,28)