7VZ

methyl 2-chloranyl-4-cyclohexylsulfanyl-5-sulfamoyl-benzoate

Created:	2021-09-09
Last modified:	2022-01-12

Find Related PDB Entry
3 entries where 7VZ is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	6

2D diagram of 7VZ

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	methyl 2-chloranyl-4-cyclohexylsulfanyl-5-sulfamoyl-benzoate
Systematic Name (OpenEye OEToolkits)	methyl 2-chloranyl-4-cyclohexylsulfanyl-5-sulfamoyl-benzoate
Formula	C₁₄ H₁₈ Cl N O₄ S₂
Molecular Weight	363.88
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COC(=O)c1cc(c(SC2CCCCC2)cc1Cl)[S](N)(=O)=O
SMILES	OpenEye OEToolkits	2.0.7	COC(=O)c1cc(c(cc1Cl)SC2CCCCC2)S(=O)(=O)N
Canonical SMILES	CACTVS	3.385	COC(=O)c1cc(c(SC2CCCCC2)cc1Cl)[S](N)(=O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	COC(=O)c1cc(c(cc1Cl)SC2CCCCC2)S(=O)(=O)N
InChI	InChI	1.03	InChI=1S/C14H18ClNO4S2/c1-20-14(17)10-7-13(22(16,18)19)12(8-11(10)15)21-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H2,16,18,19)
InChIKey	InChI	1.03	QYEZJVLETJURBN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	162394490

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.