H7G

(3-{[(3-chloro-2-hydroxyphenyl)sulfonyl]amino}phenyl)acetic acid

Created:	2018-06-11
Last modified:	2018-07-04

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1 entries where H7G is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	12

2D diagram of H7G

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Chemical Component Summary
Name	(3-{[(3-chloro-2-hydroxyphenyl)sulfonyl]amino}phenyl)acetic acid
Systematic Name (OpenEye OEToolkits)	2-[3-[(3-chloranyl-2-oxidanyl-phenyl)sulfonylamino]phenyl]ethanoic acid
Formula	C₁₄ H₁₂ Cl N O₅ S
Molecular Weight	341.767
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1c(c(O)c(cc1)Cl)S(Nc2cc(CC(=O)O)ccc2)(=O)=O
SMILES	CACTVS	3.385	OC(=O)Cc1cccc(N[S](=O)(=O)c2cccc(Cl)c2O)c1
SMILES	OpenEye OEToolkits	2.0.6	c1cc(cc(c1)NS(=O)(=O)c2cccc(c2O)Cl)CC(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)Cc1cccc(N[S](=O)(=O)c2cccc(Cl)c2O)c1
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(cc(c1)NS(=O)(=O)c2cccc(c2O)Cl)CC(=O)O
InChI	InChI	1.03	InChI=1S/C14H12ClNO5S/c15-11-5-2-6-12(14(11)19)22(20,21)16-10-4-1-3-9(7-10)8-13(17)18/h1-7,16,19H,8H2,(H,17,18)
InChIKey	InChI	1.03	KIHNFFHPSDCHNU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	134613160

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