5-[3-(4-methoxyphenyl)-5-oxidanidyl-pyrazol-1-yl]-2-phenoxy-benzenesulfonate

Systemtic Name: 5-[3-(4-methoxyphenyl)-5-oxidanidyl-pyrazol-1-yl]-2-phenoxy-benzenesulfonate Openeye Name: 5-[3-(4-methoxyphenyl)-5-oxido-pyrazol-1-yl]-2-phenoxy-benzenesulfonate CAS Name: 5-[3-(4-methoxyphenyl)-5-oxido-1-pyrazolyl]-2-phenoxybenzenesulfonate IUPAC Name: 5-[3-(4-methoxyphenyl)-5-oxidopyrazol-1-yl]-2-phenoxybenzenesulfonate Traditional Name: 5-[3-(4-methoxyphenyl)-5-oxido-pyrazol-1-yl]-2-phenoxy-besylate Formula: C22H16N2O6S-2 MolecularWeight: 436.43724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=C2)[O-])C3=CC(=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=C2)[O-])C3=CC(=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)[O-]

InChI

InChI=1S/C22H18N2O6S/c1-29-17-10-7-15(8-11-17)19-14-22(25)24(23-19)16-9-12-20(21(13-16)31(26,27)28)30-18-5-3-2-4-6-18/h2-14,25H,1H3,(H,26,27,28)/p-2