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

Systemtic Name: [4-[[tert-butylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[tert-butylcarbamoyl(isobutyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[(tert-butylamino)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[tert-butylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[tert-butylcarbamoyl(isobutyl)amino]methyl]phenyl] ester Formula: C18H30N2O4S MolecularWeight: 370.5068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O4S/c1-7-25(22,23)24-16-10-8-15(9-11-16)13-20(12-14(2)3)17(21)19-18(4,5)6/h8-11,14H,7,12-13H2,1-6H3,(H,19,21)