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

Systemtic Name: [2-[[tert-butylcarbamoyl(2-methylpropyl)amino]methyl]-5-(diethylamino)phenyl] methanesulfonate Openeye Name: [2-[[tert-butylcarbamoyl(isobutyl)amino]methyl]-5-(diethylamino)phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-[[[(tert-butylamino)-oxomethyl]-(2-methylpropyl)amino]methyl]-5-(diethylamino)phenyl] ester IUPAC Name: [2-[[tert-butylcarbamoyl(2-methylpropyl)amino]methyl]-5-(diethylamino)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-[[tert-butylcarbamoyl(isobutyl)amino]methyl]-5-(diethylamino)phenyl] ester Formula: C21H37N3O4S MolecularWeight: 427.60118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H37N3O4S/c1-9-23(10-2)18-12-11-17(19(13-18)28-29(8,26)27)15-24(14-16(3)4)20(25)22-21(5,6)7/h11-13,16H,9-10,14-15H2,1-8H3,(H,22,25)