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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=C(C=C1)F)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CCOC1=CC=C(C=C1)F)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

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