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

Systemtic Name: N-[(2,4-dimethylphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(2,4-dimethylphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[(2,4-dimethylphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2,4-dimethylphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(2,4-dimethylbenzyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C22H25F3N2O3S MolecularWeight: 454.50571

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25F3N2O3S/c1-15-7-8-18(16(2)13-15)14-26-21(28)17-9-11-27(12-10-17)31(29,30)20-6-4-3-5-19(20)22(23,24)25/h3-8,13,17H,9-12,14H2,1-2H3,(H,26,28)