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

Systemtic Name: [4-[[furan-2-ylmethyl-(4-methyl-3-nitro-phenyl)carbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[2-furylmethyl-(4-methyl-3-nitro-benzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[2-furanylmethyl-[(4-methyl-3-nitrophenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[furan-2-ylmethyl-(4-methyl-3-nitrobenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[2-furfuryl-(4-methyl-3-nitro-benzoyl)amino]methyl]phenyl] ester Formula: C26H21FN2O7S MolecularWeight: 524.517543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CO4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CO4)[N+](=O)[O-]

InChI

InChI=1S/C26H21FN2O7S/c1-18-4-7-20(15-25(18)29(31)32)26(30)28(17-23-3-2-14-35-23)16-19-5-10-22(11-6-19)36-37(33,34)24-12-8-21(27)9-13-24/h2-15H,16-17H2,1H3