N-(2,3-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2,3-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2,3-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(2,3-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2,3-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(2,3-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C21H23F3N2O3S MolecularWeight: 440.47913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F)C

InChI

InChI=1S/C21H23F3N2O3S/c1-14-6-5-8-18(15(14)2)25-20(27)16-10-12-26(13-11-16)30(28,29)19-9-4-3-7-17(19)21(22,23)24/h3-9,16H,10-13H2,1-2H3,(H,25,27)