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

Systemtic Name: [2-[[tert-butylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-[[tert-butylcarbamoyl(2-furylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-[[[(tert-butylamino)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [2-[[tert-butylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-[[tert-butylcarbamoyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C23H25FN2O5S MolecularWeight: 460.518403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N(CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)F)CC3=CC=CO3

Isomeric SMILES

CC(C)(C)NC(=O)N(CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)F)CC3=CC=CO3

InChI

InChI=1S/C23H25FN2O5S/c1-23(2,3)25-22(27)26(16-19-8-6-14-30-19)15-17-7-4-5-9-21(17)31-32(28,29)20-12-10-18(24)11-13-20/h4-14H,15-16H2,1-3H3,(H,25,27)