2-[3-[1-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethylsulfinamoyloxy]phenyl]sulfinamoyloxy-N1,N1,N4,N4-tetracyclohexyl-benzene-1,4-dicarboxamide

Systemtic Name: 2-[3-[1-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethylsulfinamoyloxy]phenyl]sulfinamoyloxy-N1,N1,N4,N4-tetracyclohexyl-benzene-1,4-dicarboxamide Openeye Name: 2-[3-[1-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethylsulfinamoyloxy]phenyl]sulfinamoyloxy-N1,N1,N4,N4-tetracyclohexyl-terephthalamide CAS Name: 2-[3-[1-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethylsulfinamoyloxy]phenyl]sulfinamoyloxy-N1,N1,N4,N4-tetracyclohexylbenzene-1,4-dicarboxamide IUPAC Name: 2-[3-[1-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethylsulfinamoyloxy]phenyl]sulfinamoyloxy-1-N,1-N,4-N,4-N-tetracyclohexylbenzene-1,4-dicarboxamide Traditional Name: 2-[3-[1-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethylsulfinamoyloxy]phenyl]sulfinamoyloxy-N,N,N',N'-tetracyclohexyl-terephthalamide Formula: C48H68N8O6S2 MolecularWeight: 917.23352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C2N1NC(=C2)C(C)(C)C)NS(=O)OC3=CC=CC(=C3)NS(=O)OC4=C(C=CC(=C4)C(=O)N(C5CCCCC5)C6CCCCC6)C(=O)N(C7CCCCC7)C8CCCCC8

Isomeric SMILES

CC(C1=NN=C2N1NC(=C2)C(C)(C)C)NS(=O)OC3=CC=CC(=C3)NS(=O)OC4=C(C=CC(=C4)C(=O)N(C5CCCCC5)C6CCCCC6)C(=O)N(C7CCCCC7)C8CCCCC8

InChI

InChI=1S/C48H68N8O6S2/c1-33(45-50-49-44-32-43(48(2,3)4)51-56(44)45)52-63(59)61-40-27-17-18-35(31-40)53-64(60)62-42-30-34(46(57)54(36-19-9-5-10-20-36)37-21-11-6-12-22-37)28-29-41(42)47(58)55(38-23-13-7-14-24-38)39-25-15-8-16-26-39/h17-18,27-33,36-39,51-53H,5-16,19-26H2,1-4H3