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

Systemtic Name: [5-[[furan-2-ylmethyl(2-phenylethanoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[2-furylmethyl-(2-phenylacetyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[2-furanylmethyl-(1-oxo-2-phenylethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[furan-2-ylmethyl-(2-phenylacetyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[2-furfuryl-(2-phenylacetyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C22H23NO6S MolecularWeight: 429.48612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)CC3=CC=CC=C3)OS(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)CC3=CC=CC=C3)OS(=O)(=O)C

InChI

InChI=1S/C22H23NO6S/c1-27-20-11-10-18(13-21(20)29-30(2,25)26)15-23(16-19-9-6-12-28-19)22(24)14-17-7-4-3-5-8-17/h3-13H,14-16H2,1-2H3