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

Systemtic Name: [4-[[tert-butylcarbamoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [4-[[tert-butylcarbamoyl(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [4-[[[(tert-butylamino)-oxomethyl]-(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[tert-butylcarbamoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [4-[[tert-butylcarbamoyl(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C24H32N2O6S MolecularWeight: 476.58568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N(CC1CCCO1)CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)NC(=O)N(CC1CCCO1)CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C24H32N2O6S/c1-24(2,3)25-23(27)26(17-21-6-5-15-31-21)16-18-7-9-20(10-8-18)32-33(28,29)22-13-11-19(30-4)12-14-22/h7-14,21H,5-6,15-17H2,1-4H3,(H,25,27)