[3-[[furan-2-ylmethyl-(3-nitrophenyl)carbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[furan-2-ylmethyl-(3-nitrophenyl)carbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2-furylmethyl-(3-nitrobenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-furanylmethyl-[(3-nitrophenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl-(3-nitrobenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[2-furfuryl-(3-nitrobenzoyl)amino]methyl]phenyl] ester Formula: C25H19FN2O7S MolecularWeight: 510.490963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OS(=O)(=O)C2=CC=C(C=C2)F)CN(CC3=CC=CO3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)OS(=O)(=O)C2=CC=C(C=C2)F)CN(CC3=CC=CO3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H19FN2O7S/c26-20-9-11-24(12-10-20)36(32,33)35-22-7-1-4-18(14-22)16-27(17-23-8-3-13-34-23)25(29)19-5-2-6-21(15-19)28(30)31/h1-15H,16-17H2