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

Systemtic Name: 5-[5-oxidanylidene-3-(tetradecanoylamino)-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid Openeye Name: 5-[5-oxo-3-(tetradecanoylamino)-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid CAS Name: 5-[5-oxo-3-(1-oxotetradecylamino)-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid IUPAC Name: 5-[5-oxo-3-(tetradecanoylamino)-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid Traditional Name: 5-[5-keto-3-(tetradecanoylamino)-2-pyrazolin-1-yl]-2-phenoxy-besylic acid Formula: C29H39N3O6S MolecularWeight: 557.70146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H39N3O6S/c1-2-3-4-5-6-7-8-9-10-11-15-18-28(33)30-27-22-29(34)32(31-27)23-19-20-25(26(21-23)39(35,36)37)38-24-16-13-12-14-17-24/h12-14,16-17,19-21H,2-11,15,18,22H2,1H3,(H,30,31,33)(H,35,36,37)