KMG

N-(3-methyl-2H-indazol-5-yl)butane-1-sulfonamide

Created:	2017-06-07
Last modified:	2018-12-05

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1 entries where KMG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	10

2D diagram of KMG

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Chemical Component Summary
Name	N-(3-methyl-2H-indazol-5-yl)butane-1-sulfonamide
Systematic Name (OpenEye OEToolkits)	~{N}-(3-methyl-2~{H}-indazol-5-yl)butane-1-sulfonamide
Formula	C₁₂ H₁₇ N₃ O₂ S
Molecular Weight	267.347
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc2c1c(ccc(c1)NS(CCCC)(=O)=O)nn2
SMILES	CACTVS	3.385	CCCC[S](=O)(=O)Nc1ccc2n[nH]c(C)c2c1
SMILES	OpenEye OEToolkits	2.0.6	CCCCS(=O)(=O)Nc1ccc2c(c1)c([nH]n2)C
Canonical SMILES	CACTVS	3.385	CCCC[S](=O)(=O)Nc1ccc2n[nH]c(C)c2c1
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCCCS(=O)(=O)Nc1ccc2c(c1)c([nH]n2)C
InChI	InChI	1.03	InChI=1S/C12H17N3O2S/c1-3-4-7-18(16,17)15-10-5-6-12-11(8-10)9(2)13-14-12/h5-6,8,15H,3-4,7H2,1-2H3,(H,13,14)
InChIKey	InChI	1.03	KOCNIUOZWPMKDF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135121350

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