dioctyl 5-[2-[1-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethylsulfamoylmethyl]octylsulfinamoyloxy]benzene-1,3-dicarboxylate

Systemtic Name: dioctyl 5-[2-[1-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethylsulfamoylmethyl]octylsulfinamoyloxy]benzene-1,3-dicarboxylate Openeye Name: dioctyl 5-[2-[1-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethylsulfamoylmethyl]octylsulfinamoyloxy]benzene-1,3-dicarboxylate CAS Name: 5-[2-[1-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethylsulfamoylmethyl]octylsulfinamoyloxy]benzene-1,3-dicarboxylic acid dioctyl ester IUPAC Name: dioctyl 5-[2-[1-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethylsulfamoylmethyl]octylsulfinamoyloxy]benzene-1,3-dicarboxylate Traditional Name: 5-[2-[1-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethylsulfamoylmethyl]octylsulfinamoyloxy]benzene-1,3-dicarboxylic acid dioctyl ester Formula: C43H72N6O8S2 MolecularWeight: 865.19718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC(=CC(=C1)OS(=O)NCC(CCCCCC)CS(=O)(=O)NC(C)C2=NN=C3N2NC(=C3)C(C)(C)C)C(=O)OCCCCCCCC

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC(=CC(=C1)OS(=O)NCC(CCCCCC)CS(=O)(=O)NC(C)C2=NN=C3N2NC(=C3)C(C)(C)C)C(=O)OCCCCCCCC

InChI

InChI=1S/C43H72N6O8S2/c1-8-11-14-17-19-22-25-55-41(50)35-27-36(42(51)56-26-23-20-18-15-12-9-2)29-37(28-35)57-58(52)44-31-34(24-21-16-13-10-3)32-59(53,54)48-33(4)40-46-45-39-30-38(43(5,6)7)47-49(39)40/h27-30,33-34,44,47-48H,8-26,31-32H2,1-7H3