5-(5-oxidanylidene-3-phenylazanyl-4H-pyrazol-1-yl)-2-phenoxy-benzenesulfonate

Systemtic Name: 5-(5-oxidanylidene-3-phenylazanyl-4H-pyrazol-1-yl)-2-phenoxy-benzenesulfonate Openeye Name: 5-(3-anilino-5-oxo-4H-pyrazol-1-yl)-2-phenoxy-benzenesulfonate CAS Name: 5-(3-anilino-5-oxo-4H-pyrazol-1-yl)-2-phenoxybenzenesulfonate IUPAC Name: 5-(3-anilino-5-oxo-4H-pyrazol-1-yl)-2-phenoxybenzenesulfonate Traditional Name: 5-(3-anilino-5-keto-2-pyrazolin-1-yl)-2-phenoxy-besylate Formula: C21H16N3O5S- MolecularWeight: 422.43384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)[O-])NC4=CC=CC=C4

Isomeric SMILES

C1C(=NN(C1=O)C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)[O-])NC4=CC=CC=C4

InChI

InChI=1S/C21H17N3O5S/c25-21-14-20(22-15-7-3-1-4-8-15)23-24(21)16-11-12-18(19(13-16)30(26,27)28)29-17-9-5-2-6-10-17/h1-13H,14H2,(H,22,23)(H,26,27,28)/p-1