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

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

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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)C2CCC2

Isomeric SMILES

CCC(C)N(CC1=C(C=C(C=C1)N(CC)CC)OS(=O)(=O)CC)C(=O)C2CCC2

InChI

InChI=1S/C22H36N2O4S/c1-6-17(5)24(22(25)18-11-10-12-18)16-19-13-14-20(23(7-2)8-3)15-21(19)28-29(26,27)9-4/h13-15,17-18H,6-12,16H2,1-5H3