N-[(2S)-6-methylheptan-2-yl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-6-methylheptan-2-yl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-1,5-dimethylhexyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[(2S)-6-methylheptan-2-yl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-6-methylheptan-2-yl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-1,5-dimethylhexyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C21H31F3N2O3S MolecularWeight: 448.54265

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

C[C@@H](CCCC(C)C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C21H31F3N2O3S/c1-15(2)6-4-7-16(3)25-20(27)17-10-12-26(13-11-17)30(28,29)19-9-5-8-18(14-19)21(22,23)24/h5,8-9,14-17H,4,6-7,10-13H2,1-3H3,(H,25,27)/t16-/m0/s1