N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[dodecylsulfonyl(2-methylpropyl)amino]phenyl]-N-(2-methylpropyl)dodecane-1-sulfonamide

Systemtic Name: N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[dodecylsulfonyl(2-methylpropyl)amino]phenyl]-N-(2-methylpropyl)dodecane-1-sulfonamide Openeye Name: N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[dodecylsulfonyl(isobutyl)amino]phenyl]-N-isobutyl-dodecane-1-sulfonamide CAS Name: N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[dodecylsulfonyl(2-methylpropyl)amino]phenyl]-N-(2-methylpropyl)-1-dodecanesulfonamide IUPAC Name: N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[dodecylsulfonyl(2-methylpropyl)amino]phenyl]-N-(2-methylpropyl)dodecane-1-sulfonamide Traditional Name: N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[isobutyl(laurylsulfonyl)amino]phenyl]-N-isobutyl-dodecane-1-sulfonamide Formula: C46H82N6O4S2 MolecularWeight: 847.31108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)N(CC(C)C)C1=CC(=CC(=C1)C2=NN3C(=N2)C=C(N3)C(C)(C)C)N(CC(C)C)S(=O)(=O)CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)N(CC(C)C)C1=CC(=CC(=C1)C2=NN3C(=N2)C=C(N3)C(C)(C)C)N(CC(C)C)S(=O)(=O)CCCCCCCCCCCC

InChI

InChI=1S/C46H82N6O4S2/c1-10-12-14-16-18-20-22-24-26-28-30-57(53,54)50(36-38(3)4)41-32-40(45-47-44-35-43(46(7,8)9)48-52(44)49-45)33-42(34-41)51(37-39(5)6)58(55,56)31-29-27-25-23-21-19-17-15-13-11-2/h32-35,38-39,48H,10-31,36-37H2,1-9H3