5-(3-acetamido-5-oxidanylidene-4H-pyrazol-1-yl)-2-phenoxy-benzenesulfonic acid

Systemtic Name: 5-(3-acetamido-5-oxidanylidene-4H-pyrazol-1-yl)-2-phenoxy-benzenesulfonic acid Openeye Name: 5-(3-acetamido-5-oxo-4H-pyrazol-1-yl)-2-phenoxy-benzenesulfonic acid CAS Name: 5-(3-acetamido-5-oxo-4H-pyrazol-1-yl)-2-phenoxybenzenesulfonic acid IUPAC Name: 5-(3-acetamido-5-oxo-4H-pyrazol-1-yl)-2-phenoxybenzenesulfonic acid Traditional Name: 5-(3-acetamido-5-keto-2-pyrazolin-1-yl)-2-phenoxy-besylic acid Formula: C17H15N3O6S MolecularWeight: 389.3825

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NN(C(=O)C1)C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=NN(C(=O)C1)C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C17H15N3O6S/c1-11(21)18-16-10-17(22)20(19-16)12-7-8-14(15(9-12)27(23,24)25)26-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,18,19,21)(H,23,24,25)