EOQ

4-chloranyl-~{N}-(2-hydroxyethyl)-2-[(phenylmethyl)amino]-5-sulfamoyl-benzamide

Created:	2018-04-05
Last modified:	2019-03-13

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1 entries where EOQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	44
Aromatic Bond Count	12

2D diagram of EOQ

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Chemical Component Summary
Name	4-chloranyl-~{N}-(2-hydroxyethyl)-2-[(phenylmethyl)amino]-5-sulfamoyl-benzamide
Systematic Name (OpenEye OEToolkits)	4-chloranyl-~{N}-(2-hydroxyethyl)-2-[(phenylmethyl)amino]-5-sulfamoyl-benzamide
Formula	C₁₆ H₁₈ Cl N₃ O₄ S
Molecular Weight	383.85
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	N[S](=O)(=O)c1cc(C(=O)NCCO)c(NCc2ccccc2)cc1Cl
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)CNc2cc(c(cc2C(=O)NCCO)S(=O)(=O)N)Cl
Canonical SMILES	CACTVS	3.385	N[S](=O)(=O)c1cc(C(=O)NCCO)c(NCc2ccccc2)cc1Cl
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)CNc2cc(c(cc2C(=O)NCCO)S(=O)(=O)N)Cl
InChI	InChI	1.03	InChI=1S/C16H18ClN3O4S/c17-13-9-14(20-10-11-4-2-1-3-5-11)12(16(22)19-6-7-21)8-15(13)25(18,23)24/h1-5,8-9,20-21H,6-7,10H2,(H,19,22)(H2,18,23,24)
InChIKey	InChI	1.03	JHJVKSXZTYMHHX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL4168966
PubChem	126508711
ChEMBL	CHEMBL4168966

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.