KL6

1-{2-[(methanesulfonyl)amino]ethyl}-1,2,3,4-tetrahydroquinoline-7-sulfonamide

Created:2023-08-14
Last modified:  2023-11-08

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Chemical Details

Formal Charge0
Atom Count40
Chiral Atom Count0
Bond Count41
Aromatic Bond Count6
2D diagram of KL6

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Chemical Component Summary

Name1-{2-[(methanesulfonyl)amino]ethyl}-1,2,3,4-tetrahydroquinoline-7-sulfonamide
Systematic Name (OpenEye OEToolkits)1-[2-(methylsulfonylamino)ethyl]-3,4-dihydro-2~{H}-quinoline-7-sulfonamide
FormulaC12 H19 N3 O4 S2
Molecular Weight333.427
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01NS(=O)(=O)c1ccc2CCCN(CCNS(C)(=O)=O)c2c1
SMILESCACTVS3.385C[S](=O)(=O)NCCN1CCCc2ccc(cc12)[S](N)(=O)=O
SMILESOpenEye OEToolkits2.0.7CS(=O)(=O)NCCN1CCCc2c1cc(cc2)S(=O)(=O)N
Canonical SMILESCACTVS3.385 C[S](=O)(=O)NCCN1CCCc2ccc(cc12)[S](N)(=O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 CS(=O)(=O)NCCN1CCCc2c1cc(cc2)S(=O)(=O)N
InChIInChI1.06 InChI=1S/C12H19N3O4S2/c1-20(16,17)14-6-8-15-7-2-3-10-4-5-11(9-12(10)15)21(13,18)19/h4-5,9,14H,2-3,6-8H2,1H3,(H2,13,18,19)
InChIKeyInChI1.06 QNNCYWWAACHETJ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 169408165