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

Systemtic Name: [5-(diethylamino)-2-[[furan-2-ylcarbonyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-(diethylamino)-2-[[furan-2-carbonyl(isopropyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-(diethylamino)-2-[[[2-furanyl(oxo)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [5-(diethylamino)-2-[[furan-2-carbonyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-(diethylamino)-2-[[2-furoyl(isopropyl)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(C(C)C)C(=O)C2=CC=CO2)OS(=O)(=O)CC

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)CN(C(C)C)C(=O)C2=CC=CO2)OS(=O)(=O)CC

InChI

InChI=1S/C21H30N2O5S/c1-6-22(7-2)18-12-11-17(20(14-18)28-29(25,26)8-3)15-23(16(4)5)21(24)19-10-9-13-27-19/h9-14,16H,6-8,15H2,1-5H3