2-[4-azanyl-5-(4-propan-2-ylphenyl)sulfonyl-pyrimidin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[4-azanyl-5-(4-propan-2-ylphenyl)sulfonyl-pyrimidin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-amino-5-(4-isopropylphenyl)sulfonyl-pyrimidin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[[4-amino-5-(4-propan-2-ylphenyl)sulfonyl-2-pyrimidinyl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-amino-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[(4-amino-5-p-cumenylsulfonyl-pyrimidin-2-yl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C22H21F3N4O3S2 MolecularWeight: 510.55235

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)C2=CN=C(N=C2N)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)C2=CN=C(N=C2N)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H21F3N4O3S2/c1-13(2)14-6-8-17(9-7-14)34(31,32)18-11-27-21(29-20(18)26)33-12-19(30)28-16-5-3-4-15(10-16)22(23,24)25/h3-11,13H,12H2,1-2H3,(H,28,30)(H2,26,27,29)