[4-[[tert-butylcarbamoyl(cyclopropyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[tert-butylcarbamoyl(cyclopropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[tert-butylcarbamoyl(cyclopropyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[(tert-butylamino)-oxomethyl]-cyclopropylamino]methyl]phenyl] ester IUPAC Name: [4-[[tert-butylcarbamoyl(cyclopropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[tert-butylcarbamoyl(cyclopropyl)amino]methyl]phenyl] ester Formula: C17H26N2O4S MolecularWeight: 354.46434

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=C(C=C1)CN(C2CC2)C(=O)NC(C)(C)C

Isomeric SMILES

CCS(=O)(=O)OC1=CC=C(C=C1)CN(C2CC2)C(=O)NC(C)(C)C

InChI

InChI=1S/C17H26N2O4S/c1-5-24(21,22)23-15-10-6-13(7-11-15)12-19(14-8-9-14)16(20)18-17(2,3)4/h6-7,10-11,14H,5,8-9,12H2,1-4H3,(H,18,20)