(4E)-2-(4-fluorophenyl)-5-methyl-4-[[(4-piperidin-1-ylsulfonylphenyl)amino]methylidene]pyrazol-3-one

Systemtic Name: (4E)-2-(4-fluorophenyl)-5-methyl-4-[[(4-piperidin-1-ylsulfonylphenyl)amino]methylidene]pyrazol-3-one Openeye Name: (4E)-2-(4-fluorophenyl)-5-methyl-4-[[4-(1-piperidylsulfonyl)anilino]methylene]pyrazol-3-one CAS Name: (4E)-2-(4-fluorophenyl)-5-methyl-4-[[4-(1-piperidinylsulfonyl)anilino]methylidene]-3-pyrazolone IUPAC Name: (4E)-2-(4-fluorophenyl)-5-methyl-4-[(4-piperidin-1-ylsulfonylanilino)methylidene]pyrazol-3-one Traditional Name: (4E)-2-(4-fluorophenyl)-5-methyl-4-[(4-piperidinosulfonylanilino)methylene]-2-pyrazolin-3-one Formula: C22H23FN4O3S MolecularWeight: 442.506423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN4O3S/c1-16-21(22(28)27(25-16)19-9-5-17(23)6-10-19)15-24-18-7-11-20(12-8-18)31(29,30)26-13-3-2-4-14-26/h5-12,15,24H,2-4,13-14H2,1H3/b21-15+