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

Systemtic Name: [2-[[cyclobutylcarbonyl(2-methylpropyl)amino]methyl]-5-(diethylamino)phenyl] ethanesulfonate Openeye Name: [2-[[cyclobutanecarbonyl(isobutyl)amino]methyl]-5-(diethylamino)phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-[[[cyclobutyl(oxo)methyl]-(2-methylpropyl)amino]methyl]-5-(diethylamino)phenyl] ester IUPAC Name: [2-[[cyclobutanecarbonyl(2-methylpropyl)amino]methyl]-5-(diethylamino)phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [2-[[cyclobutanecarbonyl(isobutyl)amino]methyl]-5-(diethylamino)phenyl] ester Formula: C22H36N2O4S MolecularWeight: 424.59724

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)CN(CC(C)C)C(=O)C2CCC2)OS(=O)(=O)CC

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)CN(CC(C)C)C(=O)C2CCC2)OS(=O)(=O)CC

InChI

InChI=1S/C22H36N2O4S/c1-6-23(7-2)20-13-12-19(21(14-20)28-29(26,27)8-3)16-24(15-17(4)5)22(25)18-10-9-11-18/h12-14,17-18H,6-11,15-16H2,1-5H3