N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[(3-fluoranyl-2-methylsulfonyl-phenyl)amino]ethanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[(3-fluoranyl-2-methylsulfonyl-phenyl)amino]ethanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-(3-fluoro-2-methylsulfonyl-anilino)acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-(3-fluoro-2-methylsulfonylanilino)acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-fluoro-2-methylsulfonylanilino)acetamide Traditional Name: 2-(3-fluoro-2-mesyl-anilino)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C20H21FN4O4S MolecularWeight: 432.468543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CNC3=C(C(=CC=C3)F)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CNC3=C(C(=CC=C3)F)S(=O)(=O)C

InChI

InChI=1S/C20H21FN4O4S/c1-13-18(20(27)25(24(13)2)14-8-5-4-6-9-14)23-17(26)12-22-16-11-7-10-15(21)19(16)30(3,28)29/h4-11,22H,12H2,1-3H3,(H,23,26)