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

Systemtic Name: [5-[[tert-butylcarbamoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[tert-butylcarbamoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[(tert-butylamino)-oxomethyl]-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[tert-butylcarbamoyl(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[tert-butylcarbamoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C18H30N2O6S MolecularWeight: 402.5056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O6S/c1-7-27(22,23)26-16-12-14(8-9-15(16)25-6)13-20(10-11-24-5)17(21)19-18(2,3)4/h8-9,12H,7,10-11,13H2,1-6H3,(H,19,21)