methyl 2-[6-(methylsulfonylmethyl)-2-phenyl-pyrimidin-4-yl]sulfanylbenzoate

Systemtic Name: methyl 2-[6-(methylsulfonylmethyl)-2-phenyl-pyrimidin-4-yl]sulfanylbenzoate Openeye Name: methyl 2-[6-(methylsulfonylmethyl)-2-phenyl-pyrimidin-4-yl]sulfanylbenzoate CAS Name: 2-[[6-(methylsulfonylmethyl)-2-phenyl-4-pyrimidinyl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[6-(methylsulfonylmethyl)-2-phenylpyrimidin-4-yl]sulfanylbenzoate Traditional Name: 2-[[6-(mesylmethyl)-2-phenyl-pyrimidin-4-yl]thio]benzoic acid methyl ester Formula: C20H18N2O4S2 MolecularWeight: 414.49792

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SC2=NC(=NC(=C2)CS(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1SC2=NC(=NC(=C2)CS(=O)(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O4S2/c1-26-20(23)16-10-6-7-11-17(16)27-18-12-15(13-28(2,24)25)21-19(22-18)14-8-4-3-5-9-14/h3-12H,13H2,1-2H3