[4-[3-(2-fluoranylphenoxy)propylcarbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[3-(2-fluoranylphenoxy)propylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[3-(2-fluorophenoxy)propylcarbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[3-(2-fluorophenoxy)propylamino]-oxomethyl]phenyl] ester IUPAC Name: [4-[3-(2-fluorophenoxy)propylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[3-(2-fluorophenoxy)propylcarbamoyl]phenyl] ester Formula: C22H19FN2O7S MolecularWeight: 474.458863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19FN2O7S/c23-20-7-1-2-8-21(20)31-14-4-13-24-22(26)16-9-11-18(12-10-16)32-33(29,30)19-6-3-5-17(15-19)25(27)28/h1-3,5-12,15H,4,13-14H2,(H,24,26)