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

Systemtic Name: [4-[[tert-butylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[tert-butylcarbamoyl(2-furylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[[(tert-butylamino)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[tert-butylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[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=C(C=C1)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)OS(=O)(=O)C2=CC=C(C=C2)F)CC3=CC=CO3

InChI

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