5-(5-oxidanidyl-3-phenyl-pyrazol-1-yl)-2-phenoxy-benzenesulfonate

Systemtic Name: 5-(5-oxidanidyl-3-phenyl-pyrazol-1-yl)-2-phenoxy-benzenesulfonate Openeye Name: 5-(5-oxido-3-phenyl-pyrazol-1-yl)-2-phenoxy-benzenesulfonate CAS Name: 5-(5-oxido-3-phenyl-1-pyrazolyl)-2-phenoxybenzenesulfonate IUPAC Name: 5-(5-oxido-3-phenylpyrazol-1-yl)-2-phenoxybenzenesulfonate Traditional Name: 5-(5-oxido-3-phenyl-pyrazol-1-yl)-2-phenoxy-besylate Formula: C21H14N2O5S-2 MolecularWeight: 406.41126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=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/C21H16N2O5S/c24-21-14-18(15-7-3-1-4-8-15)22-23(21)16-11-12-19(20(13-16)29(25,26)27)28-17-9-5-2-6-10-17/h1-14,24H,(H,25,26,27)/p-2