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

Systemtic Name: [2-[[butan-2-yl(3-methylbutanoyl)amino]methyl]-5-(diethylamino)phenyl] ethanesulfonate Openeye Name: [5-(diethylamino)-2-[[3-methylbutanoyl(sec-butyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-[[butan-2-yl-(3-methyl-1-oxobutyl)amino]methyl]-5-(diethylamino)phenyl] ester IUPAC Name: [2-[[butan-2-yl(3-methylbutanoyl)amino]methyl]-5-(diethylamino)phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-(diethylamino)-2-[[isovaleryl(sec-butyl)amino]methyl]phenyl] ester Formula: C22H38N2O4S MolecularWeight: 426.61312

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=C(C=C(C=C1)N(CC)CC)OS(=O)(=O)CC)C(=O)CC(C)C

Isomeric SMILES

CCC(C)N(CC1=C(C=C(C=C1)N(CC)CC)OS(=O)(=O)CC)C(=O)CC(C)C

InChI

InChI=1S/C22H38N2O4S/c1-8-18(7)24(22(25)14-17(5)6)16-19-12-13-20(23(9-2)10-3)15-21(19)28-29(26,27)11-4/h12-13,15,17-18H,8-11,14,16H2,1-7H3