[2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl] 4-bromanylbenzenesulfonate

Systemtic Name: [2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl] 4-bromanylbenzenesulfonate Openeye Name: [2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [2-(4-methoxyphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(4-methoxyphenyl)-5-phenylpyrazol-3-yl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C22H17BrN2O4S MolecularWeight: 485.35038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H17BrN2O4S/c1-28-19-11-9-18(10-12-19)25-22(15-21(24-25)16-5-3-2-4-6-16)29-30(26,27)20-13-7-17(23)8-14-20/h2-15H,1H3