4-[[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octylsulfonylamino]pyrimidin-4-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octylsulfonylamino]pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: 4-[[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: 4-[[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 4-[[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)pyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: 4-[[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)pyrimidin-4-yl]amino]benzenesulfonamide Formula: C18H10F17N5O4S2 MolecularWeight: 747.405954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC(=NC=C2)NS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1NC2=NC(=NC=C2)NS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)N

InChI

InChI=1S/C18H10F17N5O4S2/c19-11(20,13(23,24)15(27,28)17(31,32)33)12(21,22)14(25,26)16(29,30)18(34,35)46(43,44)40-10-37-6-5-9(39-10)38-7-1-3-8(4-2-7)45(36,41)42/h1-6H,(H2,36,41,42)(H2,37,38,39,40)