2-[4,5,5-tris(fluoranyl)octan-4-ylsulfonylamino]benzene-1,3-dicarboxamide

Systemtic Name: 2-[4,5,5-tris(fluoranyl)octan-4-ylsulfonylamino]benzene-1,3-dicarboxamide Openeye Name: 2-[(1,2,2-trifluoro-1-propyl-pentyl)sulfonylamino]benzene-1,3-dicarboxamide CAS Name: 2-(4,5,5-trifluorooctan-4-ylsulfonylamino)benzene-1,3-dicarboxamide IUPAC Name: 2-(4,5,5-trifluorooctan-4-ylsulfonylamino)benzene-1,3-dicarboxamide Traditional Name: 2-[(1,2,2-trifluoro-1-propyl-pentyl)sulfonylamino]isophthalamide Formula: C16H22F3N3O4S MolecularWeight: 409.42379

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CCC)(F)S(=O)(=O)NC1=C(C=CC=C1C(=O)N)C(=O)N)(F)F

Isomeric SMILES

CCCC(C(CCC)(F)S(=O)(=O)NC1=C(C=CC=C1C(=O)N)C(=O)N)(F)F

InChI

InChI=1S/C16H22F3N3O4S/c1-3-8-15(17,18)16(19,9-4-2)27(25,26)22-12-10(13(20)23)6-5-7-11(12)14(21)24/h5-7,22H,3-4,8-9H2,1-2H3,(H2,20,23)(H2,21,24)