[5-(diethylamino)-2-[[furan-2-ylmethyl(2-methylpropanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [5-(diethylamino)-2-[[furan-2-ylmethyl(2-methylpropanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [5-(diethylamino)-2-[[2-furylmethyl(2-methylpropanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-(diethylamino)-2-[[2-furanylmethyl-(2-methyl-1-oxopropyl)amino]methyl]phenyl] ester IUPAC Name: [5-(diethylamino)-2-[[furan-2-ylmethyl(2-methylpropanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-(diethylamino)-2-[[2-furfuryl(isobutyryl)amino]methyl]phenyl] ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O5S/c1-6-22(7-2)18-11-10-17(20(13-18)28-29(5,25)26)14-23(21(24)16(3)4)15-19-9-8-12-27-19/h8-13,16H,6-7,14-15H2,1-5H3