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

Systemtic Name: [5-[[(3-bromophenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[(3-bromobenzoyl)-(2-furylmethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[(3-bromophenyl)-oxomethyl]-(2-furanylmethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(3-bromobenzoyl)-(furan-2-ylmethyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[(3-bromobenzoyl)-(2-furfuryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H20BrNO6S MolecularWeight: 494.3556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrNO6S/c1-27-19-9-8-15(11-20(19)29-30(2,25)26)13-23(14-18-7-4-10-28-18)21(24)16-5-3-6-17(22)12-16/h3-12H,13-14H2,1-2H3