[5-[[(4-bromophenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[(4-bromophenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[(4-bromobenzoyl)-(2-furylmethyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[[(4-bromophenyl)-oxomethyl]-(2-furanylmethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-bromobenzoyl)-(furan-2-ylmethyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[(4-bromobenzoyl)-(2-furfuryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C26H21BrFNO6S MolecularWeight: 574.415443

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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)Br)OS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C26H21BrFNO6S/c1-33-24-13-4-18(15-25(24)35-36(31,32)23-11-9-21(28)10-12-23)16-29(17-22-3-2-14-34-22)26(30)19-5-7-20(27)8-6-19/h2-15H,16-17H2,1H3