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

Systemtic Name: N-(4-bromophenyl)-4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-butanamide Openeye Name: N-(4-bromophenyl)-4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-butanamide CAS Name: N-(4-bromophenyl)-4-[[4-(2-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl]butanamide IUPAC Name: N-(4-bromophenyl)-4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanamide Traditional Name: N-(4-bromophenyl)-4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-butyramide Formula: C22H19BrF3N3O4S MolecularWeight: 558.36817

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC(=NC(=N2)S(=O)(=O)CCCC(=O)NC3=CC=C(C=C3)Br)C(F)(F)F

Isomeric SMILES

COC1=CC=CC=C1C2=CC(=NC(=N2)S(=O)(=O)CCCC(=O)NC3=CC=C(C=C3)Br)C(F)(F)F

InChI

InChI=1S/C22H19BrF3N3O4S/c1-33-18-6-3-2-5-16(18)17-13-19(22(24,25)26)29-21(28-17)34(31,32)12-4-7-20(30)27-15-10-8-14(23)9-11-15/h2-3,5-6,8-11,13H,4,7,12H2,1H3,(H,27,30)