N-{(4R)-1'-[(2R)-6-Cyano-1,2,3,4-Tetrahydro-2-Naphthalenyl]-4-Hydroxy-3,4-Dihydrospiro[Chromene-2,4'-Piperidin]-6-Yl}Methanesulfonamide

Molecule SVG Image

Properties Simple | Detailed

Formula C25H29N3O4S
IUPAC Name n-[(4r)-1'-[(2r)-6-cyanotetralin-2-yl]-4-hydroxy-spiro[chromane-2,4'-piperidine]-6-yl]methanesulfonamide
Molecular Mass 467.580 g·mol−1
Heat of Formation -445.8 ± 16.7 kJ·mol−1
Dipole Moment 6.53 ± 1.08 D
Volume 542.59 Å 3
Surface Area 459.25 Å 2
HOMO Energy -8.33 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(4r)-1'-[(2r)-6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-4-hydroxy-spiro[chroman-2,4'-piperidine]-6-yl]methanesulfonamide
  • n-[(4r)-1'-[(2r)-6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-4-hydroxyspiro[chroman-2,4'-piperidine]-6-yl]methanesulfonamide
  • n-[(4r)-1'-[(2r)-6-cyano-2-tetralinyl]-4-hydroxy-6-spiro[chroman-2,4'-piperidine]yl]methanesulfonamide
  • n-[(4r)-1'-[(2r)-6-cyanotetralin-2-yl]-4-hydroxy-spiro[chroman-2,4'-piperidine]-6-yl]methanesulfonamide
InChIKey NIYGLRKUBPNXQS-FYYLOGMGSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N