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

Systemtic Name: [2-[[cyclobutylcarbonyl(cyclopropyl)amino]methyl]-5-(diethylamino)phenyl] methanesulfonate Openeye Name: [2-[[cyclobutanecarbonyl(cyclopropyl)amino]methyl]-5-(diethylamino)phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-[[[cyclobutyl(oxo)methyl]-cyclopropylamino]methyl]-5-(diethylamino)phenyl] ester IUPAC Name: [2-[[cyclobutanecarbonyl(cyclopropyl)amino]methyl]-5-(diethylamino)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-[[cyclobutanecarbonyl(cyclopropyl)amino]methyl]-5-(diethylamino)phenyl] ester Formula: C20H30N2O4S MolecularWeight: 394.5282

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)CN(C2CC2)C(=O)C3CCC3)OS(=O)(=O)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)CN(C2CC2)C(=O)C3CCC3)OS(=O)(=O)C

InChI

InChI=1S/C20H30N2O4S/c1-4-21(5-2)18-10-9-16(19(13-18)26-27(3,24)25)14-22(17-11-12-17)20(23)15-7-6-8-15/h9-10,13,15,17H,4-8,11-12,14H2,1-3H3