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

Systemtic Name: [2-[[cyclobutylcarbonyl(2-methylpropyl)amino]methyl]-5-(diethylamino)phenyl] methanesulfonate Openeye Name: [2-[[cyclobutanecarbonyl(isobutyl)amino]methyl]-5-(diethylamino)phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-[[[cyclobutyl(oxo)methyl]-(2-methylpropyl)amino]methyl]-5-(diethylamino)phenyl] ester IUPAC Name: [2-[[cyclobutanecarbonyl(2-methylpropyl)amino]methyl]-5-(diethylamino)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-[[cyclobutanecarbonyl(isobutyl)amino]methyl]-5-(diethylamino)phenyl] ester Formula: C21H34N2O4S MolecularWeight: 410.57066

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O4S/c1-6-22(7-2)19-12-11-18(20(13-19)27-28(5,25)26)15-23(14-16(3)4)21(24)17-9-8-10-17/h11-13,16-17H,6-10,14-15H2,1-5H3