N0Q

5-(dimethylamino)-~{N}-[6-[(2~{R},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide

Created: 2019-11-04
Last modified:  2020-08-19

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Chemical Details

Formal Charge0
Atom Count70
Chiral Atom Count4
Bond Count72
Aromatic Bond Count11
2D diagram of N0Q
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Chemical Component Summary

Name5-(dimethylamino)-~{N}-[6-[(2~{R},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide
Systematic Name (OpenEye OEToolkits)5-(dimethylamino)-~{N}-[6-[(2~{R},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide
FormulaC24 H37 N3 O5 S
Molecular Weight479.633
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCC[CH]3NC[CH](O)[CH](O)[CH]3CO
SMILESOpenEye OEToolkits2.0.7CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCC3C(C(C(CN3)O)O)CO
Canonical SMILESCACTVS3.385 CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCC[C@H]3NC[C@@H](O)[C@@H](O)[C@H]3CO
Canonical SMILESOpenEye OEToolkits2.0.7 CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCC[C@@H]3[C@@H]([C@@H]([C@@H](CN3)O)O)CO
InChIInChI1.03 InChI=1S/C24H37N3O5S/c1-27(2)21-12-7-10-18-17(21)9-8-13-23(18)33(31,32)26-14-6-4-3-5-11-20-19(16-28)24(30)22(29)15-25-20/h7-10,12-13,19-20,22,24-26,28-30H,3-6,11,14-16H2,1-2H3/t19-,20+,22+,24-/m0/s1
InChIKeyInChI1.03 YUUSOYGEJQMOTK-IKJKNFHUSA-N

Related Resource References

Resource NameReference
PubChem 154573801