MWA

(3S)-N-(4-chloro-3-fluorophenyl)-1-(methylsulfonyl)piperidine-3-carboxamide

Created:	2019-04-23
Last modified:	2019-10-23

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1 entries where MWA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	1
Bond Count	38
Aromatic Bond Count	6

2D diagram of MWA

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Chemical Component Summary
Name	(3S)-N-(4-chloro-3-fluorophenyl)-1-(methylsulfonyl)piperidine-3-carboxamide
Systematic Name (OpenEye OEToolkits)	(3~{S})-~{N}-(4-chloranyl-3-fluoranyl-phenyl)-1-methylsulfonyl-piperidine-3-carboxamide
Formula	C₁₃ H₁₆ Cl F N₂ O₃ S
Molecular Weight	334.794
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2(NC(C1CN(CCC1)S(C)(=O)=O)=O)ccc(c(c2)F)Cl
SMILES	CACTVS	3.385	C[S](=O)(=O)N1CCC[CH](C1)C(=O)Nc2ccc(Cl)c(F)c2
SMILES	OpenEye OEToolkits	2.0.7	CS(=O)(=O)N1CCCC(C1)C(=O)Nc2ccc(c(c2)F)Cl
Canonical SMILES	CACTVS	3.385	C[S](=O)(=O)N1CCC[C@@H](C1)C(=O)Nc2ccc(Cl)c(F)c2
Canonical SMILES	OpenEye OEToolkits	2.0.7	CS(=O)(=O)N1CCC[C@@H](C1)C(=O)Nc2ccc(c(c2)F)Cl
InChI	InChI	1.03	InChI=1S/C13H16ClFN2O3S/c1-21(19,20)17-6-2-3-9(8-17)13(18)16-10-4-5-11(14)12(15)7-10/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,18)/t9-/m0/s1
InChIKey	InChI	1.03	GRRLMNOEYDEZJF-VIFPVBQESA-N

Related Resource References

Resource Name	Reference
PubChem	139267759

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