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

Systemtic Name: (4Z)-2,5-diphenyl-4-[[1-phenyl-3-(3-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]methylidene]pyrazol-3-one Openeye Name: (4Z)-2,5-diphenyl-4-[[1-phenyl-3-[3-(1-piperidylsulfonyl)phenyl]pyrazol-4-yl]methylene]pyrazol-3-one CAS Name: (4Z)-2,5-diphenyl-4-[[1-phenyl-3-[3-(1-piperidinylsulfonyl)phenyl]-4-pyrazolyl]methylidene]-3-pyrazolone IUPAC Name: (4Z)-2,5-diphenyl-4-[[1-phenyl-3-(3-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]methylidene]pyrazol-3-one Traditional Name: (4Z)-2,5-diphenyl-4-[[1-phenyl-3-(3-piperidinosulfonylphenyl)pyrazol-4-yl]methylene]-2-pyrazolin-3-one Formula: C36H31N5O3S MolecularWeight: 613.72804

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3C=C4C(=NN(C4=O)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3/C=C\4/C(=NN(C4=O)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C36H31N5O3S/c42-36-33(35(27-14-5-1-6-15-27)38-41(36)31-19-9-3-10-20-31)25-29-26-40(30-17-7-2-8-18-30)37-34(29)28-16-13-21-32(24-28)45(43,44)39-22-11-4-12-23-39/h1-3,5-10,13-21,24-26H,4,11-12,22-23H2/b33-25-