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

Systemtic Name: [2-[[cyclobutylcarbonyl(oxolan-2-ylmethyl)amino]methyl]-5-(diethylamino)phenyl] ethanesulfonate Openeye Name: [2-[[cyclobutanecarbonyl(tetrahydrofuran-2-ylmethyl)amino]methyl]-5-(diethylamino)phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-[[[cyclobutyl(oxo)methyl]-(2-oxolanylmethyl)amino]methyl]-5-(diethylamino)phenyl] ester IUPAC Name: [2-[[cyclobutanecarbonyl(oxolan-2-ylmethyl)amino]methyl]-5-(diethylamino)phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [2-[[cyclobutanecarbonyl(tetrahydrofurfuryl)amino]methyl]-5-(diethylamino)phenyl] ester Formula: C23H36N2O5S MolecularWeight: 452.60734

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)CN(CC2CCCO2)C(=O)C3CCC3)OS(=O)(=O)CC

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)CN(CC2CCCO2)C(=O)C3CCC3)OS(=O)(=O)CC

InChI

InChI=1S/C23H36N2O5S/c1-4-24(5-2)20-13-12-19(22(15-20)30-31(27,28)6-3)16-25(17-21-11-8-14-29-21)23(26)18-9-7-10-18/h12-13,15,18,21H,4-11,14,16-17H2,1-3H3