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

Systemtic Name: (4E)-5-methyl-2-(4-methylphenyl)-4-[[(4-piperidin-1-ylsulfonylphenyl)amino]methylidene]pyrazol-3-one Openeye Name: (4E)-5-methyl-4-[[4-(1-piperidylsulfonyl)anilino]methylene]-2-(p-tolyl)pyrazol-3-one CAS Name: (4E)-5-methyl-2-(4-methylphenyl)-4-[[4-(1-piperidinylsulfonyl)anilino]methylidene]-3-pyrazolone IUPAC Name: (4E)-5-methyl-2-(4-methylphenyl)-4-[(4-piperidin-1-ylsulfonylanilino)methylidene]pyrazol-3-one Traditional Name: (4E)-5-methyl-4-[(4-piperidinosulfonylanilino)methylene]-2-(p-tolyl)-2-pyrazolin-3-one Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CNC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C(=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C/NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)/C(=N2)C

InChI

InChI=1S/C23H26N4O3S/c1-17-6-10-20(11-7-17)27-23(28)22(18(2)25-27)16-24-19-8-12-21(13-9-19)31(29,30)26-14-4-3-5-15-26/h6-13,16,24H,3-5,14-15H2,1-2H3/b22-16+