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

Systemtic Name: [5-(diethylamino)-2-[[2-methylpropanoyl(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [5-(diethylamino)-2-[[isobutyl(2-methylpropanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-(diethylamino)-2-[[(2-methyl-1-oxopropyl)-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [5-(diethylamino)-2-[[2-methylpropanoyl(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-(diethylamino)-2-[[isobutyl(isobutyryl)amino]methyl]phenyl] ester Formula: C20H34N2O4S MolecularWeight: 398.55996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34N2O4S/c1-8-21(9-2)18-11-10-17(19(12-18)26-27(7,24)25)14-22(13-15(3)4)20(23)16(5)6/h10-12,15-16H,8-9,13-14H2,1-7H3