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

Systemtic Name: 5-[5-(octadecanoylamino)-3-oxidanylidene-1H-pyrazol-2-yl]-2-phenoxy-benzenesulfonic acid Openeye Name: 5-[5-(octadecanoylamino)-3-oxo-1H-pyrazol-2-yl]-2-phenoxy-benzenesulfonic acid CAS Name: 5-[3-oxo-5-(1-oxooctadecylamino)-1H-pyrazol-2-yl]-2-phenoxybenzenesulfonic acid IUPAC Name: 5-[5-(octadecanoylamino)-3-oxo-1H-pyrazol-2-yl]-2-phenoxybenzenesulfonic acid Traditional Name: 5-(5-keto-3-stearamido-3-pyrazolin-1-yl)-2-phenoxy-besylic acid Formula: C33H47N3O6S MolecularWeight: 613.80778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=CC(=O)N(N1)C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=CC(=O)N(N1)C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C33H47N3O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-32(37)34-31-26-33(38)36(35-31)27-23-24-29(30(25-27)43(39,40)41)42-28-20-17-16-18-21-28/h16-18,20-21,23-26,35H,2-15,19,22H2,1H3,(H,34,37)(H,39,40,41)