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

Systemtic Name: [5-(diethylamino)-2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-(diethylamino)-2-[[isopropyl(3-methylbutanoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic 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] ethanesulfonate Traditional Name: ethanesulfonic acid [5-(diethylamino)-2-[[isopropyl(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(C(C)C)C(=O)CC(C)C)OS(=O)(=O)CC

Isomeric SMILES

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

InChI

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