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

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

CCC(C(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C)N(C3=CC=C(C=C3)F)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C)N(C3=CC=C(C=C3)F)S(=O)(=O)C

InChI

InChI=1S/C22H25FN4O4S/c1-5-19(27(32(4,30)31)18-13-11-16(23)12-14-18)21(28)24-20-15(2)25(3)26(22(20)29)17-9-7-6-8-10-17/h6-14,19H,5H2,1-4H3,(H,24,28)