N-[4-chloranyl-3-[[5-oxidanylidene-1-[2,4,6-tris(chloranyl)phenyl]-4H-pyrazol-3-yl]amino]phenyl]-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]dodecanamide

Systemtic Name: N-[4-chloranyl-3-[[5-oxidanylidene-1-[2,4,6-tris(chloranyl)phenyl]-4H-pyrazol-3-yl]amino]phenyl]-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]dodecanamide Openeye Name: N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]amino]phenyl]-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]dodecanamide CAS Name: N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]amino]phenyl]-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]dodecanamide IUPAC Name: N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]amino]phenyl]-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]dodecanamide Traditional Name: N-[4-chloro-3-[[5-keto-1-(2,4,6-trichlorophenyl)-2-pyrazolin-3-yl]amino]phenyl]-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]lauramide Formula: C39H40Cl4N4O6S MolecularWeight: 834.6351

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(=O)NC1=CC(=C(C=C1)Cl)NC2=NN(C(=O)C2)C3=C(C=C(C=C3Cl)Cl)Cl)OC4=CC=C(C=C4)S(=O)(=O)C5=CC=C(C=C5)O

Isomeric SMILES

CCCCCCCCCCC(C(=O)NC1=CC(=C(C=C1)Cl)NC2=NN(C(=O)C2)C3=C(C=C(C=C3Cl)Cl)Cl)OC4=CC=C(C=C4)S(=O)(=O)C5=CC=C(C=C5)O

InChI

InChI=1S/C39H40Cl4N4O6S/c1-2-3-4-5-6-7-8-9-10-35(53-28-14-18-30(19-15-28)54(51,52)29-16-12-27(48)13-17-29)39(50)44-26-11-20-31(41)34(23-26)45-36-24-37(49)47(46-36)38-32(42)21-25(40)22-33(38)43/h11-23,35,48H,2-10,24H2,1H3,(H,44,50)(H,45,46)