N-[(2S)-pentan-2-yl]-1-[3-(trifluoromethyloxy)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-pentan-2-yl]-1-[3-(trifluoromethyloxy)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-1-methylbutyl]-1-[3-(trifluoromethoxy)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[(2S)-pentan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-pentan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-1-methylbutyl]-1-[3-(trifluoromethoxy)phenyl]sulfonyl-isonipecotamide Formula: C18H25F3N2O4S MolecularWeight: 422.46231

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25F3N2O4S/c1-3-5-13(2)22-17(24)14-8-10-23(11-9-14)28(25,26)16-7-4-6-15(12-16)27-18(19,20)21/h4,6-7,12-14H,3,5,8-11H2,1-2H3,(H,22,24)/t13-/m0/s1