[5-[[furan-2-ylmethyl(3-phenylpropanoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[furan-2-ylmethyl(3-phenylpropanoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[2-furylmethyl(3-phenylpropanoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[2-furanylmethyl-(1-oxo-3-phenylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[furan-2-ylmethyl(3-phenylpropanoyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[2-furfuryl(hydrocinnamoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C23H25NO6S MolecularWeight: 443.5127

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)CCC3=CC=CC=C3)OS(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)CCC3=CC=CC=C3)OS(=O)(=O)C

InChI

InChI=1S/C23H25NO6S/c1-28-21-12-10-19(15-22(21)30-31(2,26)27)16-24(17-20-9-6-14-29-20)23(25)13-11-18-7-4-3-5-8-18/h3-10,12,14-15H,11,13,16-17H2,1-2H3