N-[5-methylsulfonyl-2-(1-propan-2-ylpyrazol-4-yl)phenyl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[5-methylsulfonyl-2-(1-propan-2-ylpyrazol-4-yl)phenyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[2-(1-isopropylpyrazol-4-yl)-5-methylsulfonyl-phenyl]-3-(trifluoromethyl)benzamide CAS Name: N-[5-methylsulfonyl-2-(1-propan-2-yl-4-pyrazolyl)phenyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[5-methylsulfonyl-2-(1-propan-2-ylpyrazol-4-yl)phenyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[2-(1-isopropylpyrazol-4-yl)-5-mesyl-phenyl]-3-(trifluoromethyl)benzamide Formula: C21H20F3N3O3S MolecularWeight: 451.46201

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C2=C(C=C(C=C2)S(=O)(=O)C)NC(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC(C)N1C=C(C=N1)C2=C(C=C(C=C2)S(=O)(=O)C)NC(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H20F3N3O3S/c1-13(2)27-12-15(11-25-27)18-8-7-17(31(3,29)30)10-19(18)26-20(28)14-5-4-6-16(9-14)21(22,23)24/h4-13H,1-3H3,(H,26,28)