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

Systemtic Name: [5-[[2,2-diphenylethanoyl(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[(2,2-diphenylacetyl)-(2-furylmethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[2-furanylmethyl-(1-oxo-2,2-diphenylethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(2,2-diphenylacetyl)-(furan-2-ylmethyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[(2,2-diphenylacetyl)-(2-furfuryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C28H27NO6S MolecularWeight: 505.58208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)OS(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)OS(=O)(=O)C

InChI

InChI=1S/C28H27NO6S/c1-33-25-16-15-21(18-26(25)35-36(2,31)32)19-29(20-24-14-9-17-34-24)28(30)27(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-18,27H,19-20H2,1-2H3