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

Systemtic Name: [5-(diethylamino)-2-[[2-methylpropanoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-(diethylamino)-2-[[isobutyl(2-methylpropanoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic 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] ethanesulfonate Traditional Name: ethanesulfonic acid [5-(diethylamino)-2-[[isobutyl(isobutyryl)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)C(C)C)OS(=O)(=O)CC

Isomeric SMILES

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

InChI

InChI=1S/C21H36N2O4S/c1-8-22(9-2)19-12-11-18(20(13-19)27-28(25,26)10-3)15-23(14-16(4)5)21(24)17(6)7/h11-13,16-17H,8-10,14-15H2,1-7H3