[5-[[furan-2-ylmethyl(2-phenoxyethanoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[furan-2-ylmethyl(2-phenoxyethanoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[2-furylmethyl-(2-phenoxyacetyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[2-furanylmethyl-(1-oxo-2-phenoxyethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[furan-2-ylmethyl-(2-phenoxyacetyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[2-furfuryl-(2-phenoxyacetyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C22H23NO7S MolecularWeight: 445.48552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)COC3=CC=CC=C3)OS(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)COC3=CC=CC=C3)OS(=O)(=O)C

InChI

InChI=1S/C22H23NO7S/c1-27-20-11-10-17(13-21(20)30-31(2,25)26)14-23(15-19-9-6-12-28-19)22(24)16-29-18-7-4-3-5-8-18/h3-13H,14-16H2,1-2H3