[2-[[tert-butylcarbamoyl(2-methoxyethyl)amino]methyl]-5-(diethylamino)phenyl] methanesulfonate

Systemtic Name: [2-[[tert-butylcarbamoyl(2-methoxyethyl)amino]methyl]-5-(diethylamino)phenyl] methanesulfonate Openeye Name: [2-[[tert-butylcarbamoyl(2-methoxyethyl)amino]methyl]-5-(diethylamino)phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-[[[(tert-butylamino)-oxomethyl]-(2-methoxyethyl)amino]methyl]-5-(diethylamino)phenyl] ester IUPAC Name: [2-[[tert-butylcarbamoyl(2-methoxyethyl)amino]methyl]-5-(diethylamino)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-[[tert-butylcarbamoyl(2-methoxyethyl)amino]methyl]-5-(diethylamino)phenyl] ester Formula: C20H35N3O5S MolecularWeight: 429.574

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)CN(CCOC)C(=O)NC(C)(C)C)OS(=O)(=O)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)CN(CCOC)C(=O)NC(C)(C)C)OS(=O)(=O)C

InChI

InChI=1S/C20H35N3O5S/c1-8-22(9-2)17-11-10-16(18(14-17)28-29(7,25)26)15-23(12-13-27-6)19(24)21-20(3,4)5/h10-11,14H,8-9,12-13,15H2,1-7H3,(H,21,24)