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

Systemtic Name: (5Z)-5-[[1-phenyl-3-(3-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one Openeye Name: (5Z)-5-[[1-phenyl-3-[3-(1-piperidylsulfonyl)phenyl]pyrazol-4-yl]methylene]-2-(1-piperidyl)thiazol-4-one CAS Name: (5Z)-5-[[1-phenyl-3-[3-(1-piperidinylsulfonyl)phenyl]-4-pyrazolyl]methylidene]-2-(1-piperidinyl)-4-thiazolone IUPAC Name: (5Z)-5-[[1-phenyl-3-(3-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one Traditional Name: (5Z)-5-[[1-phenyl-3-(3-piperidinosulfonylphenyl)pyrazol-4-yl]methylene]-2-piperidino-2-thiazolin-4-one Formula: C29H31N5O3S2 MolecularWeight: 561.71814

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=O)C(=CC3=CN(N=C3C4=CC(=CC=C4)S(=O)(=O)N5CCCCC5)C6=CC=CC=C6)S2

Isomeric SMILES

C1CCN(CC1)C2=NC(=O)/C(=C/C3=CN(N=C3C4=CC(=CC=C4)S(=O)(=O)N5CCCCC5)C6=CC=CC=C6)/S2

InChI

InChI=1S/C29H31N5O3S2/c35-28-26(38-29(30-28)32-15-6-2-7-16-32)20-23-21-34(24-12-4-1-5-13-24)31-27(23)22-11-10-14-25(19-22)39(36,37)33-17-8-3-9-18-33/h1,4-5,10-14,19-21H,2-3,6-9,15-18H2/b26-20-