N-[3-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[[2-chloranyl-5-(dodecylsulfonylamino)phenoxy]sulfinylamino]phenyl]sulfinamoyloxy-4-chloranyl-phenyl]dodecane-1-sulfonamide

Systemtic Name: N-[3-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[[2-chloranyl-5-(dodecylsulfonylamino)phenoxy]sulfinylamino]phenyl]sulfinamoyloxy-4-chloranyl-phenyl]dodecane-1-sulfonamide Openeye Name: N-[3-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[[2-chloro-5-(dodecylsulfonylamino)phenoxy]sulfinylamino]phenyl]sulfinamoyloxy-4-chloro-phenyl]dodecane-1-sulfonamide CAS Name: N-[3-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[[2-chloro-5-(dodecylsulfonylamino)phenoxy]sulfinylamino]phenyl]sulfinamoyloxy-4-chlorophenyl]-1-dodecanesulfonamide IUPAC Name: N-[3-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[[2-chloro-5-(dodecylsulfonylamino)phenoxy]sulfinylamino]phenyl]sulfinamoyloxy-4-chlorophenyl]dodecane-1-sulfonamide Traditional Name: N-[3-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[[2-chloro-5-(laurylsulfonylamino)phenoxy]sulfinylamino]phenyl]sulfinamoyloxy-4-chloro-phenyl]dodecane-1-sulfonamide Formula: C50H74Cl2N8O8S4 MolecularWeight: 1114.33736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)NC1=CC(=C(C=C1)Cl)OS(=O)NC2=CC(=CC(=C2)C3=NN4C(=N3)C=C(N4)C(C)(C)C)NS(=O)OC5=C(C=CC(=C5)NS(=O)(=O)CCCCCCCCCCCC)Cl

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)NC1=CC(=C(C=C1)Cl)OS(=O)NC2=CC(=CC(=C2)C3=NN4C(=N3)C=C(N4)C(C)(C)C)NS(=O)OC5=C(C=CC(=C5)NS(=O)(=O)CCCCCCCCCCCC)Cl

InChI

InChI=1S/C50H74Cl2N8O8S4/c1-6-8-10-12-14-16-18-20-22-24-30-71(63,64)58-39-26-28-43(51)45(35-39)67-69(61)56-41-32-38(49-53-48-37-47(50(3,4)5)54-60(48)55-49)33-42(34-41)57-70(62)68-46-36-40(27-29-44(46)52)59-72(65,66)31-25-23-21-19-17-15-13-11-9-7-2/h26-29,32-37,54,56-59H,6-25,30-31H2,1-5H3