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

Systemtic Name: [5-[[furan-2-ylcarbonyl(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[furan-2-carbonyl(2-furylmethyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[2-furanylmethyl-[2-furanyl(oxo)methyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[furan-2-carbonyl(furan-2-ylmethyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[2-furfuryl(2-furoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C20H21NO7S MolecularWeight: 419.44824

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC2=CC=CO2)C(=O)C3=CC=CO3)OC

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC2=CC=CO2)C(=O)C3=CC=CO3)OC

InChI

InChI=1S/C20H21NO7S/c1-3-29(23,24)28-19-12-15(8-9-17(19)25-2)13-21(14-16-6-4-10-26-16)20(22)18-7-5-11-27-18/h4-12H,3,13-14H2,1-2H3