A1IEP

~{N}-butyl-4-chloranyl-3-sulfamoyl-benzamide

Created:	2024-06-13
Last modified:	2025-06-25

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1 entries where A1IEP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	6

2D diagram of A1IEP

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Chemical Component Summary
Name	~{N}-butyl-4-chloranyl-3-sulfamoyl-benzamide
Systematic Name (OpenEye OEToolkits)	~{N}-butyl-4-chloranyl-3-sulfamoyl-benzamide
Formula	C₁₁ H₁₅ Cl N₂ O₃ S
Molecular Weight	290.766
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCCCNC(=O)c1ccc(Cl)c(c1)[S](N)(=O)=O
SMILES	OpenEye OEToolkits	2.0.7	CCCCNC(=O)c1ccc(c(c1)S(=O)(=O)N)Cl
Canonical SMILES	CACTVS	3.385	CCCCNC(=O)c1ccc(Cl)c(c1)[S](N)(=O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCCCNC(=O)c1ccc(c(c1)S(=O)(=O)N)Cl
InChI	InChI	1.06	InChI=1S/C11H15ClN2O3S/c1-2-3-6-14-11(15)8-4-5-9(12)10(7-8)18(13,16)17/h4-5,7H,2-3,6H2,1H3,(H,14,15)(H2,13,16,17)
InChIKey	InChI	1.06	PCJFYFWNCCTWNI-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.