trifluoromethyl 5-[2-(4-methylsulfonylphenyl)phenyl]-3-pyrimidin-4-yl-thiophene-2-sulfonate

Systemtic Name: trifluoromethyl 5-[2-(4-methylsulfonylphenyl)phenyl]-3-pyrimidin-4-yl-thiophene-2-sulfonate Openeye Name: trifluoromethyl 5-[2-(4-methylsulfonylphenyl)phenyl]-3-pyrimidin-4-yl-thiophene-2-sulfonate CAS Name: 5-[2-(4-methylsulfonylphenyl)phenyl]-3-(4-pyrimidinyl)-2-thiophenesulfonic acid trifluoromethyl ester IUPAC Name: trifluoromethyl 5-[2-(4-methylsulfonylphenyl)phenyl]-3-pyrimidin-4-ylthiophene-2-sulfonate Traditional Name: 5-[2-(4-mesylphenyl)phenyl]-3-(4-pyrimidyl)thiophene-2-sulfonic acid trifluoromethyl ester Formula: C22H15F3N2O5S3 MolecularWeight: 540.55511

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC=CC=C2C3=CC(=C(S3)S(=O)(=O)OC(F)(F)F)C4=NC=NC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC=CC=C2C3=CC(=C(S3)S(=O)(=O)OC(F)(F)F)C4=NC=NC=C4

InChI

InChI=1S/C22H15F3N2O5S3/c1-34(28,29)15-8-6-14(7-9-15)16-4-2-3-5-17(16)20-12-18(19-10-11-26-13-27-19)21(33-20)35(30,31)32-22(23,24)25/h2-13H,1H3