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

Systemtic Name: [5-(diethylamino)-2-[[furan-2-ylcarbonyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-(diethylamino)-2-[[furan-2-carbonyl(2-furylmethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-(diethylamino)-2-[[2-furanylmethyl-[2-furanyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [5-(diethylamino)-2-[[furan-2-carbonyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-(diethylamino)-2-[[2-furfuryl(2-furoyl)amino]methyl]phenyl] ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)CN(CC2=CC=CO2)C(=O)C3=CC=CO3)OS(=O)(=O)CC

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)CN(CC2=CC=CO2)C(=O)C3=CC=CO3)OS(=O)(=O)CC

InChI

InChI=1S/C23H28N2O6S/c1-4-24(5-2)19-12-11-18(22(15-19)31-32(27,28)6-3)16-25(17-20-9-7-13-29-20)23(26)21-10-8-14-30-21/h7-15H,4-6,16-17H2,1-3H3