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-(dodecylsulfamoylmethyl)butanamide

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-(dodecylsulfamoylmethyl)butanamide 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-(dodecylsulfamoylmethyl)butanamide 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-(dodecylsulfamoylmethyl)butanamide 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-(dodecylsulfamoylmethyl)butanamide 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-(laurylsulfamoylmethyl)butyramide Formula: C39H64ClN7O5S MolecularWeight: 778.48736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCNS(=O)(=O)CC(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/C39H64ClN7O5S/c1-10-12-13-14-15-16-17-18-19-22-25-41-53(50,51)27-28(11-2)35(49)42-29-23-20-21-24-30(29)52-26-31(48)43-39(8,9)38(6,7)36-45-44-34-32(40)33(37(3,4)5)46-47(34)36/h20-21,23-24,28,41,46H,10-19,22,25-27H2,1-9H3,(H,42,49)(H,43,48)