N-[2-[2-[[3-(6-tert-butyl-7-chloranyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethyl-butan-2-yl]amino]-2-oxidanylidene-ethoxy]phenyl]-2-(dodecylsulfonylamino)-3-methyl-pentanamide

Systemtic Name: N-[2-[2-[[3-(6-tert-butyl-7-chloranyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethyl-butan-2-yl]amino]-2-oxidanylidene-ethoxy]phenyl]-2-(dodecylsulfonylamino)-3-methyl-pentanamide Openeye Name: N-[2-[2-[[2-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-1,1,2-trimethyl-propyl]amino]-2-oxo-ethoxy]phenyl]-2-(dodecylsulfonylamino)-3-methyl-pentanamide CAS Name: N-[2-[2-[[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]amino]-2-oxoethoxy]phenyl]-2-(dodecylsulfonylamino)-3-methylpentanamide IUPAC Name: N-[2-[2-[[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]amino]-2-oxoethoxy]phenyl]-2-(dodecylsulfonylamino)-3-methylpentanamide Traditional Name: N-[2-[2-[[2-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-1,1,2-trimethyl-propyl]amino]-2-keto-ethoxy]phenyl]-2-(laurylsulfonylamino)-3-methyl-valeramide Formula: C40H66ClN7O5S MolecularWeight: 792.51394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)NC(C(C)CC)C(=O)NC1=CC=CC=C1OCC(=O)NC(C)(C)C(C)(C)C2=NN=C3N2NC(=C3Cl)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)NC(C(C)CC)C(=O)NC1=CC=CC=C1OCC(=O)NC(C)(C)C(C)(C)C2=NN=C3N2NC(=C3Cl)C(C)(C)C

InChI

InChI=1S/C40H66ClN7O5S/c1-11-13-14-15-16-17-18-19-20-23-26-54(51,52)47-33(28(3)12-2)36(50)42-29-24-21-22-25-30(29)53-27-31(49)43-40(9,10)39(7,8)37-45-44-35-32(41)34(38(4,5)6)46-48(35)37/h21-22,24-25,28,33,46-47H,11-20,23,26-27H2,1-10H3,(H,42,50)(H,43,49)