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

Systemtic Name: 5-(3-acetamido-4-methyl-5-oxidanylidene-4H-pyrazol-1-yl)-2-phenoxy-benzenesulfonic acid Openeye Name: 5-(3-acetamido-4-methyl-5-oxo-4H-pyrazol-1-yl)-2-phenoxy-benzenesulfonic acid CAS Name: 5-(3-acetamido-4-methyl-5-oxo-4H-pyrazol-1-yl)-2-phenoxybenzenesulfonic acid IUPAC Name: 5-(3-acetamido-4-methyl-5-oxo-4H-pyrazol-1-yl)-2-phenoxybenzenesulfonic acid Traditional Name: 5-(3-acetamido-5-keto-4-methyl-2-pyrazolin-1-yl)-2-phenoxy-besylic acid Formula: C18H17N3O6S MolecularWeight: 403.40908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=NN(C1=O)C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)O)NC(=O)C

Isomeric SMILES

CC1C(=NN(C1=O)C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)O)NC(=O)C

InChI

InChI=1S/C18H17N3O6S/c1-11-17(19-12(2)22)20-21(18(11)23)13-8-9-15(16(10-13)28(24,25)26)27-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20,22)(H,24,25,26)