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

Systemtic Name: [2-[[cyclobutylcarbonyl(cyclopropyl)amino]methyl]-5-(diethylamino)phenyl] ethanesulfonate Openeye Name: [2-[[cyclobutanecarbonyl(cyclopropyl)amino]methyl]-5-(diethylamino)phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-[[[cyclobutyl(oxo)methyl]-cyclopropylamino]methyl]-5-(diethylamino)phenyl] ester IUPAC Name: [2-[[cyclobutanecarbonyl(cyclopropyl)amino]methyl]-5-(diethylamino)phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [2-[[cyclobutanecarbonyl(cyclopropyl)amino]methyl]-5-(diethylamino)phenyl] ester Formula: C21H32N2O4S MolecularWeight: 408.55478

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O4S/c1-4-22(5-2)19-11-10-17(20(14-19)27-28(25,26)6-3)15-23(18-12-13-18)21(24)16-8-7-9-16/h10-11,14,16,18H,4-9,12-13,15H2,1-3H3