N-[2-methyl-5-(propanoylamino)phenyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-methyl-5-(propanoylamino)phenyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-methyl-5-(propanoylamino)phenyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-methyl-5-(1-oxopropylamino)phenyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-methyl-5-(propanoylamino)phenyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-methyl-5-propionamido-phenyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C23H26F3N3O4S MolecularWeight: 497.53045

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C23H26F3N3O4S/c1-3-21(30)27-17-9-8-15(2)19(14-17)28-22(31)16-10-12-29(13-11-16)34(32,33)20-7-5-4-6-18(20)23(24,25)26/h4-9,14,16H,3,10-13H2,1-2H3,(H,27,30)(H,28,31)