21K

N-{1-[N-(2,4-dichlorophenyl)glycyl]piperidin-4-yl}ethanesulfonamide

Created: 2013-08-19
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count45
Chiral Atom Count0
Bond Count46
Aromatic Bond Count6
2D diagram of 21K

Chemical Component Summary

NameN-{1-[N-(2,4-dichlorophenyl)glycyl]piperidin-4-yl}ethanesulfonamide
Systematic Name (OpenEye OEToolkits)N-[1-[2-[(2,4-dichlorophenyl)amino]ethanoyl]piperidin-4-yl]ethanesulfonamide
FormulaC15 H21 Cl2 N3 O3 S
Molecular Weight394.317
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=C(N1CCC(NS(=O)(=O)CC)CC1)CNc2ccc(Cl)cc2Cl
SMILESCACTVS3.385CC[S](=O)(=O)NC1CCN(CC1)C(=O)CNc2ccc(Cl)cc2Cl
SMILESOpenEye OEToolkits1.7.6CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2ccc(cc2Cl)Cl
Canonical SMILESCACTVS3.385 CC[S](=O)(=O)NC1CCN(CC1)C(=O)CNc2ccc(Cl)cc2Cl
Canonical SMILESOpenEye OEToolkits1.7.6 CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2ccc(cc2Cl)Cl
InChIInChI1.03 InChI=1S/C15H21Cl2N3O3S/c1-2-24(22,23)19-12-5-7-20(8-6-12)15(21)10-18-14-4-3-11(16)9-13(14)17/h3-4,9,12,18-19H,2,5-8,10H2,1H3
InChIKeyInChI1.03 QFWUINADTOYHEQ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 137348018