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

Systemtic Name: N-[(2S)-pentan-2-yl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-1-methylbutyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[(2S)-pentan-2-yl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-pentan-2-yl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-1-methylbutyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C18H25F3N2O3S MolecularWeight: 406.46291

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CCC[C@H](C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C18H25F3N2O3S/c1-3-6-13(2)22-17(24)14-9-11-23(12-10-14)27(25,26)16-8-5-4-7-15(16)18(19,20)21/h4-5,7-8,13-14H,3,6,9-12H2,1-2H3,(H,22,24)/t13-/m0/s1