N-[(4-methylsulfonylphenyl)methyl]-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-[(4-methylsulfonylphenyl)methyl]-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-[(4-methylsulfonylphenyl)methyl]-2-[1-(3-phenylprop-2-ynoyl)-4-piperidyl]thiazole-4-carboxamide CAS Name: N-[(4-methylsulfonylphenyl)methyl]-2-[1-(1-oxo-3-phenylprop-2-ynyl)-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-[(4-methylsulfonylphenyl)methyl]-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-(4-mesylbenzyl)-2-[1-(3-phenylpropioloyl)-4-piperidyl]thiazole-4-carboxamide Formula: C26H25N3O4S2 MolecularWeight: 507.6244

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CNC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C#CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CNC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C#CC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O4S2/c1-35(32,33)22-10-7-20(8-11-22)17-27-25(31)23-18-34-26(28-23)21-13-15-29(16-14-21)24(30)12-9-19-5-3-2-4-6-19/h2-8,10-11,18,21H,13-17H2,1H3,(H,27,31)