N-(4-bromophenyl)-4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-butanamide

Systemtic Name: N-(4-bromophenyl)-4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-butanamide Openeye Name: N-(4-bromophenyl)-4-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-butanamide CAS Name: N-(4-bromophenyl)-4-[[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl]butanamide IUPAC Name: N-(4-bromophenyl)-4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanamide Traditional Name: N-(4-bromophenyl)-4-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-butyramide Formula: C19H15BrF3N3O3S2 MolecularWeight: 534.36991

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15BrF3N3O3S2/c20-12-5-7-13(8-6-12)24-17(27)4-2-10-31(28,29)18-25-14(15-3-1-9-30-15)11-16(26-18)19(21,22)23/h1,3,5-9,11H,2,4,10H2,(H,24,27)