4-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylidene]-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazol-5-one

Systemtic Name: 4-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylidene]-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazol-5-one Openeye Name: 4-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methylene]-2-[4-(1-piperidylsulfonyl)phenyl]oxazol-5-one CAS Name: 4-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methylidene]-2-[4-(1-piperidinylsulfonyl)phenyl]-5-oxazolone IUPAC Name: 4-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazol-5-one Traditional Name: 4-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methylene]-2-(4-piperidinosulfonylphenyl)-2-oxazolin-5-one Formula: C28H24N4O4S2 MolecularWeight: 544.64456

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=CC4=CN(N=C4C5=CC=CS5)C6=CC=CC=C6)C(=O)O3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=CC4=CN(N=C4C5=CC=CS5)C6=CC=CC=C6)C(=O)O3

InChI

InChI=1S/C28H24N4O4S2/c33-28-24(18-21-19-32(22-8-3-1-4-9-22)30-26(21)25-10-7-17-37-25)29-27(36-28)20-11-13-23(14-12-20)38(34,35)31-15-5-2-6-16-31/h1,3-4,7-14,17-19H,2,5-6,15-16H2