M8S

2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-sulfamoylphenyl)acetamide

Created:	2019-03-27
Last modified:	2019-06-12

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1 entries where M8S is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	49
Chiral Atom Count	0
Bond Count	51
Aromatic Bond Count	6

2D diagram of M8S

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Chemical Component Summary
Name	2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-sulfamoylphenyl)acetamide
Systematic Name (OpenEye OEToolkits)	2-[2,4-bis(oxidanylidene)-1,3-diazaspiro[4.6]undecan-3-yl]-~{N}-(4-sulfamoylphenyl)ethanamide
Formula	C₁₇ H₂₂ N₄ O₅ S
Molecular Weight	394.445
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1cc(ccc1NC(CN3C(=O)C2(CCCCCC2)NC3=O)=O)S(N)(=O)=O
SMILES	CACTVS	3.385	N[S](=O)(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1NC(=O)CN2C(=O)C3(CCCCCC3)NC2=O)S(=O)(=O)N
Canonical SMILES	CACTVS	3.385	N[S](=O)(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1NC(=O)CN2C(=O)C3(CCCCCC3)NC2=O)S(=O)(=O)N
InChI	InChI	1.03	InChI=1S/C17H22N4O5S/c18-27(25,26)13-7-5-12(6-8-13)19-14(22)11-21-15(23)17(20-16(21)24)9-3-1-2-4-10-17/h5-8H,1-4,9-11H2,(H,19,22)(H,20,24)(H2,18,25,26)
InChIKey	InChI	1.03	WALKBCDYHSEIBJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	138753317

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