N-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propyl]-4-[[6-tert-butyl-2-[4-(methylsulfonylamino)phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]oxy]benzamide

Systemtic Name: N-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propyl]-4-[[6-tert-butyl-2-[4-(methylsulfonylamino)phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]oxy]benzamide Openeye Name: N-[3-[2,4-bis(1,1-dimethylpropyl)phenoxy]propyl]-4-[[6-tert-butyl-2-[4-(methanesulfonamido)phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]oxy]benzamide CAS Name: N-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propyl]-4-[[6-tert-butyl-2-[4-(methanesulfonamido)phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]oxy]benzamide IUPAC Name: N-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propyl]-4-[[6-tert-butyl-2-[4-(methanesulfonamido)phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]oxy]benzamide Traditional Name: 4-[[6-tert-butyl-2-[4-(methanesulfonamido)phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]oxy]-N-[3-(2,4-ditert-amylphenoxy)propyl]benzamide Formula: C41H54N6O5S MolecularWeight: 742.96966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCNC(=O)C2=CC=C(C=C2)OC3=C(NN4C3=NC(=N4)C5=CC=C(C=C5)NS(=O)(=O)C)C(C)(C)C)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCNC(=O)C2=CC=C(C=C2)OC3=C(NN4C3=NC(=N4)C5=CC=C(C=C5)NS(=O)(=O)C)C(C)(C)C)C(C)(C)CC

InChI

InChI=1S/C41H54N6O5S/c1-11-40(6,7)29-18-23-33(32(26-29)41(8,9)12-2)51-25-13-24-42-38(48)28-16-21-31(22-17-28)52-34-35(39(3,4)5)44-47-37(34)43-36(45-47)27-14-19-30(20-15-27)46-53(10,49)50/h14-23,26,44,46H,11-13,24-25H2,1-10H3,(H,42,48)