2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[[3-[(2-chloranyl-4-dodecylsulfonyl-phenyl)amino]-5-oxidanylidene-1-[2,4,6-tris(chloranyl)phenyl]-4H-pyrazol-4-yl]sulfanyl]phenyl]butanamide

Systemtic Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[[3-[(2-chloranyl-4-dodecylsulfonyl-phenyl)amino]-5-oxidanylidene-1-[2,4,6-tris(chloranyl)phenyl]-4H-pyrazol-4-yl]sulfanyl]phenyl]butanamide Openeye Name: 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[2-[[3-(2-chloro-4-dodecylsulfonyl-anilino)-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-4-yl]sulfanyl]phenyl]butanamide CAS Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[[3-(2-chloro-4-dodecylsulfonylanilino)-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-4-yl]thio]phenyl]butanamide IUPAC Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[[3-(2-chloro-4-dodecylsulfonylanilino)-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-4-yl]sulfanyl]phenyl]butanamide Traditional Name: N-[2-[[3-(2-chloro-4-laurylsulfonyl-anilino)-5-keto-1-(2,4,6-trichlorophenyl)-2-pyrazolin-4-yl]thio]phenyl]-2-(2,4-ditert-amylphenoxy)butyramide Formula: C53H68Cl4N4O5S2 MolecularWeight: 1047.07282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)C1=CC(=C(C=C1)NC2=NN(C(=O)C2SC3=CC=CC=C3NC(=O)C(CC)OC4=C(C=C(C=C4)C(C)(C)CC)C(C)(C)CC)C5=C(C=C(C=C5Cl)Cl)Cl)Cl

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)C1=CC(=C(C=C1)NC2=NN(C(=O)C2SC3=CC=CC=C3NC(=O)C(CC)OC4=C(C=C(C=C4)C(C)(C)CC)C(C)(C)CC)C5=C(C=C(C=C5Cl)Cl)Cl)Cl

InChI

InChI=1S/C53H68Cl4N4O5S2/c1-9-13-14-15-16-17-18-19-20-23-30-68(64,65)37-27-28-42(39(55)34-37)58-49-48(51(63)61(60-49)47-40(56)32-36(54)33-41(47)57)67-46-25-22-21-24-43(46)59-50(62)44(10-2)66-45-29-26-35(52(5,6)11-3)31-38(45)53(7,8)12-4/h21-22,24-29,31-34,44,48H,9-20,23,30H2,1-8H3,(H,58,60)(H,59,62)