[3-[[(4-bromophenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[(4-bromophenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(4-bromobenzoyl)-(2-furylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(4-bromophenyl)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-bromobenzoyl)-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(4-bromobenzoyl)-(2-furfuryl)amino]methyl]phenyl] ester Formula: C20H18BrNO5S MolecularWeight: 464.32962

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H18BrNO5S/c1-28(24,25)27-18-5-2-4-15(12-18)13-22(14-19-6-3-11-26-19)20(23)16-7-9-17(21)10-8-16/h2-12H,13-14H2,1H3