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

Systemtic Name: [2-[[tert-butylcarbamoyl(cyclopropyl)amino]methyl]-5-(diethylamino)phenyl] methanesulfonate Openeye Name: [2-[[tert-butylcarbamoyl(cyclopropyl)amino]methyl]-5-(diethylamino)phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-[[[(tert-butylamino)-oxomethyl]-cyclopropylamino]methyl]-5-(diethylamino)phenyl] ester IUPAC Name: [2-[[tert-butylcarbamoyl(cyclopropyl)amino]methyl]-5-(diethylamino)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-[[tert-butylcarbamoyl(cyclopropyl)amino]methyl]-5-(diethylamino)phenyl] ester Formula: C20H33N3O4S MolecularWeight: 411.55872

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)CN(C2CC2)C(=O)NC(C)(C)C)OS(=O)(=O)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)CN(C2CC2)C(=O)NC(C)(C)C)OS(=O)(=O)C

InChI

InChI=1S/C20H33N3O4S/c1-7-22(8-2)17-10-9-15(18(13-17)27-28(6,25)26)14-23(16-11-12-16)19(24)21-20(3,4)5/h9-10,13,16H,7-8,11-12,14H2,1-6H3,(H,21,24)