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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[(3-fluorophenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-(3-fluoro-N-methylsulfonyl-anilino)acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide Traditional Name: 2-(3-fluoro-N-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)CN(C3=CC(=CC=C3)F)S(=O)(=O)C

Isomeric SMILES

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

InChI

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