N-(3,5-dimethylphenyl)-1-[3-(trifluoromethyloxy)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3,5-dimethylphenyl)-1-[3-(trifluoromethyloxy)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-1-[3-(trifluoromethoxy)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(3,5-dimethylphenyl)-1-[3-(trifluoromethoxy)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-1-[3-(trifluoromethoxy)phenyl]sulfonyl-isonipecotamide Formula: C21H23F3N2O4S MolecularWeight: 456.47853

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)OC(F)(F)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)OC(F)(F)F)C

InChI

InChI=1S/C21H23F3N2O4S/c1-14-10-15(2)12-17(11-14)25-20(27)16-6-8-26(9-7-16)31(28,29)19-5-3-4-18(13-19)30-21(22,23)24/h3-5,10-13,16H,6-9H2,1-2H3,(H,25,27)