5-[3-[1-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethylsulfinamoyloxy]phenyl]sulfinamoyloxy-N1,N1,N3,N3-tetracyclohexyl-benzene-1,3-dicarboxamide

Systemtic Name: 5-[3-[1-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethylsulfinamoyloxy]phenyl]sulfinamoyloxy-N1,N1,N3,N3-tetracyclohexyl-benzene-1,3-dicarboxamide Openeye Name: 5-[3-[1-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethylsulfinamoyloxy]phenyl]sulfinamoyloxy-N1,N1,N3,N3-tetracyclohexyl-benzene-1,3-dicarboxamide CAS Name: 5-[3-[1-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethylsulfinamoyloxy]phenyl]sulfinamoyloxy-N1,N1,N3,N3-tetracyclohexylbenzene-1,3-dicarboxamide IUPAC Name: 5-[3-[1-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethylsulfinamoyloxy]phenyl]sulfinamoyloxy-1-N,1-N,3-N,3-N-tetracyclohexylbenzene-1,3-dicarboxamide Traditional Name: 5-[3-[1-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethylsulfinamoyloxy]phenyl]sulfinamoyloxy-N,N,N',N'-tetracyclohexyl-isophthalamide Formula: C48H68N8O6S2 MolecularWeight: 917.23352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C2N1NC(=C2)C(C)(C)C)NS(=O)OC3=CC=CC(=C3)NS(=O)OC4=CC(=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=CC(=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)61-41-27-17-18-36(31-41)53-64(60)62-42-29-34(46(57)54(37-19-9-5-10-20-37)38-21-11-6-12-22-38)28-35(30-42)47(58)55(39-23-13-7-14-24-39)40-25-15-8-16-26-40/h17-18,27-33,37-40,51-53H,5-16,19-26H2,1-4H3