4GI

3-(pyridin-3-yl)propyl (2S)-1-[(3-nitrophenyl)sulfonyl]piperidine-2-carboxylate


Toggle HydrogenToggle Labels

Chemical Component Summary

Name3-(pyridin-3-yl)propyl (2S)-1-[(3-nitrophenyl)sulfonyl]piperidine-2-carboxylate
Identifiers3-pyridin-3-ylpropyl (2S)-1-(3-nitrophenyl)sulfonylpiperidine-2-carboxylate
FormulaC20 H23 N3 O6 S
Molecular Weight433.478
TypeNON-POLYMER
Isomeric SMILESc1cc(cc(c1)S(=O)(=O)N2CCCC[C@H]2C(=O)OCCCc3cccnc3)[N+](=O)[O-]
InChIInChI=1S/C20H23N3O6S/c24-20(29-13-5-7-16-6-4-11-21-15-16)19-10-1-2-12-22(19)30(27,28)18-9-3-8-17(14-18)23(25)26/h3-4,6,8-9,11,14-15,19H,1-2,5,7,10,12-13H2/t19-/m0/s1
InChIKeyXAAHWACETUTGKH-IBGZPJMESA-N

Chemical Details

Formal Charge0
Atom Count53
Chiral Atom Count1
Bond Count55
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 137348239