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

Systemtic Name: (4E)-2-(2,4-dimethylphenyl)-5-methyl-4-[[(4-piperidin-1-ylsulfonylphenyl)amino]methylidene]pyrazol-3-one Openeye Name: (4E)-2-(2,4-dimethylphenyl)-5-methyl-4-[[4-(1-piperidylsulfonyl)anilino]methylene]pyrazol-3-one CAS Name: (4E)-2-(2,4-dimethylphenyl)-5-methyl-4-[[4-(1-piperidinylsulfonyl)anilino]methylidene]-3-pyrazolone IUPAC Name: (4E)-2-(2,4-dimethylphenyl)-5-methyl-4-[(4-piperidin-1-ylsulfonylanilino)methylidene]pyrazol-3-one Traditional Name: (4E)-2-(2,4-dimethylphenyl)-5-methyl-4-[(4-piperidinosulfonylanilino)methylene]-2-pyrazolin-3-one Formula: C24H28N4O3S MolecularWeight: 452.56912

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O3S/c1-17-7-12-23(18(2)15-17)28-24(29)22(19(3)26-28)16-25-20-8-10-21(11-9-20)32(30,31)27-13-5-4-6-14-27/h7-12,15-16,25H,4-6,13-14H2,1-3H3/b22-16+