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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-[(4-fluorophenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-(4-fluoro-N-methylsulfonyl-anilino)butanamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide Traditional Name: 4-(4-fluoro-N-mesyl-anilino)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)butyramide Formula: C22H25FN4O4S MolecularWeight: 460.521703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN4O4S/c1-16-21(22(29)27(25(16)2)19-8-5-4-6-9-19)24-20(28)10-7-15-26(32(3,30)31)18-13-11-17(23)12-14-18/h4-6,8-9,11-14H,7,10,15H2,1-3H3,(H,24,28)