A1JDL

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

Created:	2025-05-19
Last modified:	2025-10-08

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1 entries where A1JDL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	0
Bond Count	51
Aromatic Bond Count	6

2D diagram of A1JDL

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Chemical Component Summary
Name	~{N}-butyl-4-cyclohexylsulfanyl-3-sulfamoyl-benzamide
Systematic Name (OpenEye OEToolkits)	~{N}-butyl-4-cyclohexylsulfanyl-3-sulfamoyl-benzamide
Formula	C₁₇ H₂₆ N₂ O₃ S₂
Molecular Weight	370.53
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCCCNC(=O)c1ccc(SC2CCCCC2)c(c1)[S](N)(=O)=O
SMILES	OpenEye OEToolkits	2.0.7	CCCCNC(=O)c1ccc(c(c1)S(=O)(=O)N)SC2CCCCC2
Canonical SMILES	CACTVS	3.385	CCCCNC(=O)c1ccc(SC2CCCCC2)c(c1)[S](N)(=O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCCCNC(=O)c1ccc(c(c1)S(=O)(=O)N)SC2CCCCC2
InChI	InChI	1.06	InChI=1S/C17H26N2O3S2/c1-2-3-11-19-17(20)13-9-10-15(16(12-13)24(18,21)22)23-14-7-5-4-6-8-14/h9-10,12,14H,2-8,11H2,1H3,(H,19,20)(H2,18,21,22)
InChIKey	InChI	1.06	ISNDLQJTGIKBAT-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.