N-(5-bromanyl-2-oxidanyl-phenyl)-4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-butanamide

Systemtic Name: N-(5-bromanyl-2-oxidanyl-phenyl)-4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-butanamide Openeye Name: N-(5-bromo-2-hydroxy-phenyl)-4-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-butanamide CAS Name: N-(5-bromo-2-hydroxyphenyl)-4-[[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl]butanamide IUPAC Name: N-(5-bromo-2-hydroxyphenyl)-4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanamide Traditional Name: N-(5-bromo-2-hydroxy-phenyl)-4-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-butyramide Formula: C19H15BrF3N3O4S2 MolecularWeight: 550.36931

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(=NC(=N2)S(=O)(=O)CCCC(=O)NC3=C(C=CC(=C3)Br)O)C(F)(F)F

Isomeric SMILES

C1=CSC(=C1)C2=CC(=NC(=N2)S(=O)(=O)CCCC(=O)NC3=C(C=CC(=C3)Br)O)C(F)(F)F

InChI

InChI=1S/C19H15BrF3N3O4S2/c20-11-5-6-14(27)12(9-11)24-17(28)4-2-8-32(29,30)18-25-13(15-3-1-7-31-15)10-16(26-18)19(21,22)23/h1,3,5-7,9-10,27H,2,4,8H2,(H,24,28)