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

Systemtic Name: [2-[[tert-butylcarbamoyl(propan-2-yl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [2-[[tert-butylcarbamoyl(isopropyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [2-[[[(tert-butylamino)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [2-[[tert-butylcarbamoyl(propan-2-yl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [2-[[tert-butylcarbamoyl(isopropyl)amino]methyl]phenyl] ester Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O5S/c1-16(2)24(21(25)23-22(3,4)5)15-17-9-7-8-10-20(17)29-30(26,27)19-13-11-18(28-6)12-14-19/h7-14,16H,15H2,1-6H3,(H,23,25)