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

Systemtic Name: [2-[[tert-butylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [2-[[tert-butylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [2-[[[(tert-butylamino)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [2-[[tert-butylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [2-[[tert-butylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C22H30N2O6S MolecularWeight: 450.5484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N(CCOC)CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)NC(=O)N(CCOC)CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C22H30N2O6S/c1-22(2,3)23-21(25)24(14-15-28-4)16-17-8-6-7-9-20(17)30-31(26,27)19-12-10-18(29-5)11-13-19/h6-13H,14-16H2,1-5H3,(H,23,25)