[5-[[tert-butylcarbamoyl(cyclopropyl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [5-[[tert-butylcarbamoyl(cyclopropyl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate Openeye Name: [5-[[tert-butylcarbamoyl(cyclopropyl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [5-[[[(tert-butylamino)-oxomethyl]-cyclopropylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[tert-butylcarbamoyl(cyclopropyl)amino]methyl]-2-methoxyphenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [5-[[tert-butylcarbamoyl(cyclopropyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C24H31N3O6S MolecularWeight: 489.58444

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)CN(C3CC3)C(=O)NC(C)(C)C)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)CN(C3CC3)C(=O)NC(C)(C)C)OC

InChI

InChI=1S/C24H31N3O6S/c1-16(28)25-18-7-11-20(12-8-18)34(30,31)33-22-14-17(6-13-21(22)32-5)15-27(19-9-10-19)23(29)26-24(2,3)4/h6-8,11-14,19H,9-10,15H2,1-5H3,(H,25,28)(H,26,29)