N-[4-(5-ethoxy-3-oxidanylidene-1H-pyrazol-2-yl)-3-nitro-phenyl]-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]dodecanamide

Systemtic Name: N-[4-(5-ethoxy-3-oxidanylidene-1H-pyrazol-2-yl)-3-nitro-phenyl]-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]dodecanamide Openeye Name: N-[4-(5-ethoxy-3-oxo-1H-pyrazol-2-yl)-3-nitro-phenyl]-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]dodecanamide CAS Name: N-[4-(5-ethoxy-3-oxo-1H-pyrazol-2-yl)-3-nitrophenyl]-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]dodecanamide IUPAC Name: N-[4-(5-ethoxy-3-oxo-1H-pyrazol-2-yl)-3-nitrophenyl]-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]dodecanamide Traditional Name: N-[4-(3-ethoxy-5-keto-3-pyrazolin-1-yl)-3-nitro-phenyl]-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]lauramide Formula: C35H42N4O9S MolecularWeight: 694.79438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(=O)NC1=CC(=C(C=C1)N2C(=O)C=C(N2)OCC)[N+](=O)[O-])OC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)O

Isomeric SMILES

CCCCCCCCCCC(C(=O)NC1=CC(=C(C=C1)N2C(=O)C=C(N2)OCC)[N+](=O)[O-])OC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)O

InChI

InChI=1S/C35H42N4O9S/c1-3-5-6-7-8-9-10-11-12-32(48-27-16-20-29(21-17-27)49(45,46)28-18-14-26(40)15-19-28)35(42)36-25-13-22-30(31(23-25)39(43)44)38-34(41)24-33(37-38)47-4-2/h13-24,32,37,40H,3-12H2,1-2H3,(H,36,42)