[5-(diethylamino)-2-[[ethanoyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [5-(diethylamino)-2-[[ethanoyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [2-[[acetyl(2-furylmethyl)amino]methyl]-5-(diethylamino)phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-[[acetyl(2-furanylmethyl)amino]methyl]-5-(diethylamino)phenyl] ester IUPAC Name: [2-[[acetyl(furan-2-ylmethyl)amino]methyl]-5-(diethylamino)phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [2-[[acetyl(2-furfuryl)amino]methyl]-5-(diethylamino)phenyl] ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)CN(CC2=CC=CO2)C(=O)C)OS(=O)(=O)CC

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)CN(CC2=CC=CO2)C(=O)C)OS(=O)(=O)CC

InChI

InChI=1S/C20H28N2O5S/c1-5-21(6-2)18-11-10-17(20(13-18)27-28(24,25)7-3)14-22(16(4)23)15-19-9-8-12-26-19/h8-13H,5-7,14-15H2,1-4H3