3-azanyl-4-(5-oxidanylidene-3-phenyl-4H-pyrazol-1-yl)benzenesulfonate

Systemtic Name: 3-azanyl-4-(5-oxidanylidene-3-phenyl-4H-pyrazol-1-yl)benzenesulfonate Openeye Name: 3-amino-4-(5-oxo-3-phenyl-4H-pyrazol-1-yl)benzenesulfonate CAS Name: 3-amino-4-(5-oxo-3-phenyl-4H-pyrazol-1-yl)benzenesulfonate IUPAC Name: 3-amino-4-(5-oxo-3-phenyl-4H-pyrazol-1-yl)benzenesulfonate Traditional Name: 3-amino-4-(5-keto-3-phenyl-2-pyrazolin-1-yl)besylate Formula: C15H12N3O4S- MolecularWeight: 330.33848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=C(C=C(C=C2)S(=O)(=O)[O-])N)C3=CC=CC=C3

Isomeric SMILES

C1C(=NN(C1=O)C2=C(C=C(C=C2)S(=O)(=O)[O-])N)C3=CC=CC=C3

InChI

InChI=1S/C15H13N3O4S/c16-12-8-11(23(20,21)22)6-7-14(12)18-15(19)9-13(17-18)10-4-2-1-3-5-10/h1-8H,9,16H2,(H,20,21,22)/p-1