N0N

5-(dimethylamino)-~{N}-[6-[[(1~{R},2~{R},3~{S},4~{S},5~{S})-2-(hydroxymethyl)-3,4,5-tris(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 Count71
Chiral Atom Count5
Bond Count73
Aromatic Bond Count11
2D diagram of N0N
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Chemical Component Summary

Name5-(dimethylamino)-~{N}-[6-[[(1~{R},2~{R},3~{S},4~{S},5~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide
Systematic Name (OpenEye OEToolkits)5-(dimethylamino)-~{N}-[6-[[(1~{R},2~{R},3~{S},4~{S},5~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide
FormulaC24 H37 N3 O6 S
Molecular Weight495.632
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCCN[CH]3[CH](O)[CH](O)[CH](O)[CH]3CO
SMILESOpenEye OEToolkits2.0.7CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCNC3C(C(C(C3O)O)O)CO
Canonical SMILESCACTVS3.385 CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCCN[C@H]3[C@H](O)[C@@H](O)[C@@H](O)[C@H]3CO
Canonical SMILESOpenEye OEToolkits2.0.7 CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCN[C@@H]3[C@@H]([C@@H]([C@@H]([C@H]3O)O)O)CO
InChIInChI1.03 InChI=1S/C24H37N3O6S/c1-27(2)19-11-7-10-17-16(19)9-8-12-20(17)34(32,33)26-14-6-4-3-5-13-25-21-18(15-28)22(29)24(31)23(21)30/h7-12,18,21-26,28-31H,3-6,13-15H2,1-2H3/t18-,21+,22-,23-,24-/m0/s1
InChIKeyInChI1.03 UQDXIILZCYJPNV-GXWFBMCDSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL4069909
PubChem 137640259
ChEMBL CHEMBL4069909