[2-[[tert-butylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [2-[[tert-butylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [2-[[tert-butylcarbamoyl(isobutyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-[[[(tert-butylamino)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [2-[[tert-butylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-[[tert-butylcarbamoyl(isobutyl)amino]methyl]phenyl] ester Formula: C24H33N3O5S MolecularWeight: 475.60092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(=O)NC(C)(C)C

Isomeric SMILES

CC(C)CN(CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(=O)NC(C)(C)C

InChI

InChI=1S/C24H33N3O5S/c1-17(2)15-27(23(29)26-24(4,5)6)16-19-9-7-8-10-22(19)32-33(30,31)21-13-11-20(12-14-21)25-18(3)28/h7-14,17H,15-16H2,1-6H3,(H,25,28)(H,26,29)