N-(4-bromophenyl)-3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-propanamide

Systemtic Name: N-(4-bromophenyl)-3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-propanamide Openeye Name: N-(4-bromophenyl)-3-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-propanamide CAS Name: N-(4-bromophenyl)-3-[[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl]propanamide IUPAC Name: N-(4-bromophenyl)-3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide Traditional Name: N-(4-bromophenyl)-3-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-propionamide Formula: C18H13BrF3N3O3S2 MolecularWeight: 520.34333

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrF3N3O3S2/c19-11-3-5-12(6-4-11)23-16(26)7-9-30(27,28)17-24-13(14-2-1-8-29-14)10-15(25-17)18(20,21)22/h1-6,8,10H,7,9H2,(H,23,26)