[5-(diethylamino)-2-[[3-methylbutanoyl(2-methylpropyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [5-(diethylamino)-2-[[3-methylbutanoyl(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [5-(diethylamino)-2-[[isobutyl(3-methylbutanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-(diethylamino)-2-[[(3-methyl-1-oxobutyl)-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [5-(diethylamino)-2-[[3-methylbutanoyl(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-(diethylamino)-2-[[isobutyl(isovaleryl)amino]methyl]phenyl] ester Formula: C21H36N2O4S MolecularWeight: 412.58654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36N2O4S/c1-8-22(9-2)19-11-10-18(20(13-19)27-28(7,25)26)15-23(14-17(5)6)21(24)12-16(3)4/h10-11,13,16-17H,8-9,12,14-15H2,1-7H3