2-[(3-acetamido-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzenesulfonic acid

Systemtic Name: 2-[(3-acetamido-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzenesulfonic acid Openeye Name: 2-[(3-acetamido-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]benzenesulfonic acid CAS Name: 2-[(3-acetamido-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]benzenesulfonic acid IUPAC Name: 2-[(3-acetamido-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzenesulfonic acid Traditional Name: 2-[(3-acetamido-5-keto-1-phenyl-2-pyrazolin-4-yl)azo]besylic acid Formula: C17H15N5O5S MolecularWeight: 401.3965

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NN(C(=O)C1N=NC2=CC=CC=C2S(=O)(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=NN(C(=O)C1N=NC2=CC=CC=C2S(=O)(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C17H15N5O5S/c1-11(23)18-16-15(17(24)22(21-16)12-7-3-2-4-8-12)20-19-13-9-5-6-10-14(13)28(25,26)27/h2-10,15H,1H3,(H,18,21,23)(H,25,26,27)