[5-[[furan-2-ylmethyl-(4-phenylphenyl)carbonyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[furan-2-ylmethyl-(4-phenylphenyl)carbonyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[2-furylmethyl-(4-phenylbenzoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[2-furanylmethyl-[oxo-(4-phenylphenyl)methyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[furan-2-ylmethyl-(4-phenylbenzoyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[2-furfuryl-(4-phenylbenzoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C27H25NO6S MolecularWeight: 491.5555

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25NO6S/c1-32-25-15-10-20(17-26(25)34-35(2,30)31)18-28(19-24-9-6-16-33-24)27(29)23-13-11-22(12-14-23)21-7-4-3-5-8-21/h3-17H,18-19H2,1-2H3