N0K

5-[ethyl(methyl)amino]-~{N}-[6-[[(1~{S},2~{R},3~{S},4~{R})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]amino]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 N0K

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Chemical Component Summary

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCCN[CH]3C[CH](O)[CH](O)[CH]3CO
SMILESOpenEye OEToolkits2.0.7CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCNC3CC(C(C3CO)O)O
Canonical SMILESCACTVS3.385 CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCCN[C@H]3C[C@@H](O)[C@@H](O)[C@H]3CO
Canonical SMILESOpenEye OEToolkits2.0.7 CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCN[C@H]3C[C@H]([C@H]([C@H]3CO)O)O
InChIInChI1.03 InChI=1S/C24H37N3O5S/c1-27(2)21-11-7-10-18-17(21)9-8-12-23(18)33(31,32)26-14-6-4-3-5-13-25-20-15-22(29)24(30)19(20)16-28/h7-12,19-20,22,24-26,28-30H,3-6,13-16H2,1-2H3/t19-,20-,22+,24-/m0/s1
InChIKeyInChI1.03 YQJKLKLPVRSCCE-QRVLJTFESA-N

Related Resource References

Resource NameReference
PubChem 154573800