A8D

5-methoxy-N-(methylsulfonyl)-1H-indole-2-carboxamide

Created:	2009-08-27
Last modified:	2015-09-24

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1 entries where A8D is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	10

2D diagram of A8D

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Chemical Component Summary
Name	5-methoxy-N-(methylsulfonyl)-1H-indole-2-carboxamide
Systematic Name (OpenEye OEToolkits)	5-methoxy-N-methylsulfonyl-1H-indole-2-carboxamide
Formula	C₁₁ H₁₂ N₂ O₄ S
Molecular Weight	268.289
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	COc1ccc2nc(cc2c1)C(=O)NS(C)(=O)=O
SMILES	CACTVS	3.385	COc1ccc2[nH]c(cc2c1)C(=O)N[S](C)(=O)=O
SMILES	OpenEye OEToolkits	1.7.6	COc1ccc2c(c1)cc([nH]2)C(=O)NS(=O)(=O)C
Canonical SMILES	CACTVS	3.385	COc1ccc2[nH]c(cc2c1)C(=O)N[S](C)(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	COc1ccc2c(c1)cc([nH]2)C(=O)NS(=O)(=O)C
InChI	InChI	1.03	InChI=1S/C11H12N2O4S/c1-17-8-3-4-9-7(5-8)6-10(12-9)11(14)13-18(2,15)16/h3-6,12H,1-2H3,(H,13,14)
InChIKey	InChI	1.03	DXGOZIMONBKDBI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	44241504

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