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

Systemtic Name: [5-[[furan-2-ylmethyl-(4-nitrophenyl)carbonyl-amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[2-furylmethyl-(4-nitrobenzoyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[2-furanylmethyl-[(4-nitrophenyl)-oxomethyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[furan-2-ylmethyl-(4-nitrobenzoyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[2-furfuryl-(4-nitrobenzoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C26H21FN2O8S MolecularWeight: 540.516943

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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)[N+](=O)[O-])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)[N+](=O)[O-])OS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H21FN2O8S/c1-35-24-13-4-18(15-25(24)37-38(33,34)23-11-7-20(27)8-12-23)16-28(17-22-3-2-14-36-22)26(30)19-5-9-21(10-6-19)29(31)32/h2-15H,16-17H2,1H3