5-[3-(dodecanoylamino)-5-oxidanylidene-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid

Systemtic Name: 5-[3-(dodecanoylamino)-5-oxidanylidene-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid Openeye Name: 5-[3-(dodecanoylamino)-5-oxo-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid CAS Name: 5-[5-oxo-3-(1-oxododecylamino)-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid IUPAC Name: 5-[3-(dodecanoylamino)-5-oxo-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid Traditional Name: 5-[5-keto-3-(lauroylamino)-2-pyrazolin-1-yl]-2-phenoxy-besylic acid Formula: C27H35N3O6S MolecularWeight: 529.6483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N3O6S/c1-2-3-4-5-6-7-8-9-13-16-26(31)28-25-20-27(32)30(29-25)21-17-18-23(24(19-21)37(33,34)35)36-22-14-11-10-12-15-22/h10-12,14-15,17-19H,2-9,13,16,20H2,1H3,(H,28,29,31)(H,33,34,35)