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

Systemtic Name: 1-[3,4-bis(fluoranyl)phenyl]sulfonyl-N-[(2S)-6-methylheptan-2-yl]piperidine-4-carboxamide Openeye Name: 1-(3,4-difluorophenyl)sulfonyl-N-[(1S)-1,5-dimethylhexyl]piperidine-4-carboxamide CAS Name: 1-(3,4-difluorophenyl)sulfonyl-N-[(2S)-6-methylheptan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(3,4-difluorophenyl)sulfonyl-N-[(2S)-6-methylheptan-2-yl]piperidine-4-carboxamide Traditional Name: 1-(3,4-difluorophenyl)sulfonyl-N-[(1S)-1,5-dimethylhexyl]isonipecotamide Formula: C20H30F2N2O3S MolecularWeight: 416.525606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30F2N2O3S/c1-14(2)5-4-6-15(3)23-20(25)16-9-11-24(12-10-16)28(26,27)17-7-8-18(21)19(22)13-17/h7-8,13-16H,4-6,9-12H2,1-3H3,(H,23,25)/t15-/m0/s1