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

Systemtic Name: (4E)-2-(3,4-dimethylphenyl)-4-[[(2-methoxy-4-piperidin-1-ylsulfonyl-phenyl)amino]methylidene]-5-methyl-pyrazol-3-one Openeye Name: (4E)-2-(3,4-dimethylphenyl)-4-[[2-methoxy-4-(1-piperidylsulfonyl)anilino]methylene]-5-methyl-pyrazol-3-one CAS Name: (4E)-2-(3,4-dimethylphenyl)-4-[[2-methoxy-4-(1-piperidinylsulfonyl)anilino]methylidene]-5-methyl-3-pyrazolone IUPAC Name: (4E)-2-(3,4-dimethylphenyl)-4-[(2-methoxy-4-piperidin-1-ylsulfonylanilino)methylidene]-5-methylpyrazol-3-one Traditional Name: (4E)-2-(3,4-dimethylphenyl)-4-[(2-methoxy-4-piperidinosulfonyl-anilino)methylene]-5-methyl-2-pyrazolin-3-one Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O4S/c1-17-8-9-20(14-18(17)2)29-25(30)22(19(3)27-29)16-26-23-11-10-21(15-24(23)33-4)34(31,32)28-12-6-5-7-13-28/h8-11,14-16,26H,5-7,12-13H2,1-4H3/b22-16+