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

Systemtic Name: 5-[[1-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one Openeye Name: 5-[[1-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazol-4-yl]methylene]-2-(1-piperidyl)thiazol-4-one CAS Name: 5-[[1-phenyl-3-[3-(1-pyrrolidinylsulfonyl)phenyl]-4-pyrazolyl]methylidene]-2-(1-piperidinyl)-4-thiazolone IUPAC Name: 5-[[1-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one Traditional Name: 5-[[1-phenyl-3-(3-pyrrolidinosulfonylphenyl)pyrazol-4-yl]methylene]-2-piperidino-2-thiazolin-4-one Formula: C28H29N5O3S2 MolecularWeight: 547.69156

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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)N5CCCC5)C6=CC=CC=C6)S2

Isomeric SMILES

C1CCN(CC1)C2=NC(=O)C(=CC3=CN(N=C3C4=CC(=CC=C4)S(=O)(=O)N5CCCC5)C6=CC=CC=C6)S2

InChI

InChI=1S/C28H29N5O3S2/c34-27-25(37-28(29-27)31-14-5-2-6-15-31)19-22-20-33(23-11-3-1-4-12-23)30-26(22)21-10-9-13-24(18-21)38(35,36)32-16-7-8-17-32/h1,3-4,9-13,18-20H,2,5-8,14-17H2