[4-[2-(2-fluoranylphenoxy)ethyl-methyl-carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[2-(2-fluoranylphenoxy)ethyl-methyl-carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[2-(2-fluorophenoxy)ethyl-methyl-carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[2-(2-fluorophenoxy)ethyl-methylamino]-oxomethyl]phenyl] ester IUPAC Name: [4-[2-(2-fluorophenoxy)ethyl-methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[2-(2-fluorophenoxy)ethyl-methyl-carbamoyl]phenyl] ester Formula: C22H19FN2O7S MolecularWeight: 474.458863

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=CC=C1F)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CCOC1=CC=CC=C1F)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19FN2O7S/c1-24(13-14-31-21-8-3-2-7-20(21)23)22(26)16-9-11-18(12-10-16)32-33(29,30)19-6-4-5-17(15-19)25(27)28/h2-12,15H,13-14H2,1H3