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

Systemtic Name: [4-[[tert-butylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[tert-butylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[[(tert-butylamino)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[tert-butylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[tert-butylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C21H27FN2O5S MolecularWeight: 438.512883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N(CCOC)CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)NC(=O)N(CCOC)CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H27FN2O5S/c1-21(2,3)23-20(25)24(13-14-28-4)15-16-5-9-18(10-6-16)29-30(26,27)19-11-7-17(22)8-12-19/h5-12H,13-15H2,1-4H3,(H,23,25)