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

Systemtic Name: [5-(diethylamino)-2-[[2-methoxyethanoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-(diethylamino)-2-[[isobutyl-(2-methoxyacetyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-(diethylamino)-2-[[(2-methoxy-1-oxoethyl)-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [5-(diethylamino)-2-[[(2-methoxyacetyl)-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-(diethylamino)-2-[[isobutyl-(2-methoxyacetyl)amino]methyl]phenyl] ester Formula: C20H34N2O5S MolecularWeight: 414.55936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34N2O5S/c1-7-21(8-2)18-11-10-17(19(12-18)27-28(24,25)9-3)14-22(13-16(4)5)20(23)15-26-6/h10-12,16H,7-9,13-15H2,1-6H3