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

Systemtic Name: [2-[[tert-butylcarbamoyl(furan-2-ylmethyl)amino]methyl]-4-chloranyl-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-[[tert-butylcarbamoyl(2-furylmethyl)amino]methyl]-4-chloro-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-[[[(tert-butylamino)-oxomethyl]-(2-furanylmethyl)amino]methyl]-4-chlorophenyl] ester IUPAC Name: [2-[[tert-butylcarbamoyl(furan-2-ylmethyl)amino]methyl]-4-chlorophenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-[[tert-butylcarbamoyl(2-furfuryl)amino]methyl]-4-chloro-phenyl] ester Formula: C23H24ClFN2O5S MolecularWeight: 494.963463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N(CC1=CC=CO1)CC2=C(C=CC(=C2)Cl)OS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)NC(=O)N(CC1=CC=CO1)CC2=C(C=CC(=C2)Cl)OS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H24ClFN2O5S/c1-23(2,3)26-22(28)27(15-19-5-4-12-31-19)14-16-13-17(24)6-11-21(16)32-33(29,30)20-9-7-18(25)8-10-20/h4-13H,14-15H2,1-3H3,(H,26,28)