AG4

N-(3-methoxypropyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide

Created:2008-11-11
Last modified:  2012-01-05

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Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count0
Bond Count45
Aromatic Bond Count12
2D diagram of AG4

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Chemical Component Summary

NameN-(3-methoxypropyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide
FormulaC16 H19 N3 O4 S2
Molecular Weight381.47
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385COCCCNC(=O)c1cc(cnc1Sc2ccccc2)[S](N)(=O)=O
SMILESOpenEye OEToolkits1.7.5COCCCNC(=O)c1cc(cnc1Sc2ccccc2)S(=O)(=O)N
Canonical SMILESCACTVS3.385 COCCCNC(=O)c1cc(cnc1Sc2ccccc2)[S](N)(=O)=O
Canonical SMILESOpenEye OEToolkits1.7.5 COCCCNC(=O)c1cc(cnc1Sc2ccccc2)S(=O)(=O)N
InChIInChI1.03 InChI=1S/C16H19N3O4S2/c1-23-9-5-8-18-15(20)14-10-13(25(17,21)22)11-19-16(14)24-12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,18,20)(H2,17,21,22)
InChIKeyInChI1.03 YFGZGDDAWQULRR-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL1099124
PubChem 44201383
ChEMBL CHEMBL1099124