[3-[[tert-butylcarbamoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[tert-butylcarbamoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[tert-butylcarbamoyl(isopropyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(tert-butylamino)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[tert-butylcarbamoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[tert-butylcarbamoyl(isopropyl)amino]methyl]phenyl] ester Formula: C17H28N2O4S MolecularWeight: 356.48022

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)C(=O)NC(C)(C)C

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)C(=O)NC(C)(C)C

InChI

InChI=1S/C17H28N2O4S/c1-7-24(21,22)23-15-10-8-9-14(11-15)12-19(13(2)3)16(20)18-17(4,5)6/h8-11,13H,7,12H2,1-6H3,(H,18,20)