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

Systemtic Name: [5-(diethylamino)-2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]phenyl] methanesulfonate Openeye Name: [5-(diethylamino)-2-[[isopropyl(3-methylbutanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-(diethylamino)-2-[[(3-methyl-1-oxobutyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [5-(diethylamino)-2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-(diethylamino)-2-[[isopropyl(isovaleryl)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(C(C)C)C(=O)CC(C)C)OS(=O)(=O)C

Isomeric SMILES

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

InChI

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