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

Systemtic Name: N-(3,4-dimethoxyphenyl)-3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-propanamide Openeye Name: N-(3,4-dimethoxyphenyl)-3-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-propanamide CAS Name: N-(3,4-dimethoxyphenyl)-3-[[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl]propanamide IUPAC Name: N-(3,4-dimethoxyphenyl)-3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide Traditional Name: N-(3,4-dimethoxyphenyl)-3-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-propionamide Formula: C20H18F3N3O5S2 MolecularWeight: 501.49923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCS(=O)(=O)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CCS(=O)(=O)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3)OC

InChI

InChI=1S/C20H18F3N3O5S2/c1-30-14-6-5-12(10-15(14)31-2)24-18(27)7-9-33(28,29)19-25-13(16-4-3-8-32-16)11-17(26-19)20(21,22)23/h3-6,8,10-11H,7,9H2,1-2H3,(H,24,27)