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

Systemtic Name: [5-[[tert-butylcarbamoyl(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[tert-butylcarbamoyl(isobutyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[(tert-butylamino)-oxomethyl]-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[tert-butylcarbamoyl(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[tert-butylcarbamoyl(isobutyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C19H32N2O5S MolecularWeight: 400.53278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N2O5S/c1-8-27(23,24)26-17-11-15(9-10-16(17)25-7)13-21(12-14(2)3)18(22)20-19(4,5)6/h9-11,14H,8,12-13H2,1-7H3,(H,20,22)