N-(5-bromanyl-2-oxidanyl-phenyl)-3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-propanamide

Systemtic Name: N-(5-bromanyl-2-oxidanyl-phenyl)-3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-propanamide Openeye Name: N-(5-bromo-2-hydroxy-phenyl)-3-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-propanamide CAS Name: N-(5-bromo-2-hydroxyphenyl)-3-[[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl]propanamide IUPAC Name: N-(5-bromo-2-hydroxyphenyl)-3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide Traditional Name: N-(5-bromo-2-hydroxy-phenyl)-3-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-propionamide Formula: C18H13BrF3N3O4S2 MolecularWeight: 536.34273

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrF3N3O4S2/c19-10-3-4-13(26)11(8-10)23-16(27)5-7-31(28,29)17-24-12(14-2-1-6-30-14)9-15(25-17)18(20,21)22/h1-4,6,8-9,26H,5,7H2,(H,23,27)