RA1

2-chloranyl-4-nitro-~{N}-(4-sulfamoylphenyl)benzamide

Created:	2017-05-10
Last modified:	2018-01-17

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1 entries where RA1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	12

2D diagram of RA1

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Chemical Component Summary
Name	2-chloranyl-4-nitro-~{N}-(4-sulfamoylphenyl)benzamide
Systematic Name (OpenEye OEToolkits)	2-chloranyl-4-nitro-~{N}-(4-sulfamoylphenyl)benzamide
Formula	C₁₃ H₁₀ Cl N₃ O₅ S
Molecular Weight	355.754
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	N[S](=O)(=O)c1ccc(NC(=O)c2ccc(cc2Cl)[N+]([O-])=O)cc1
SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1NC(=O)c2ccc(cc2Cl)[N+](=O)[O-])S(=O)(=O)N
Canonical SMILES	CACTVS	3.385	N[S](=O)(=O)c1ccc(NC(=O)c2ccc(cc2Cl)[N+]([O-])=O)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1NC(=O)c2ccc(cc2Cl)[N+](=O)[O-])S(=O)(=O)N
InChI	InChI	1.03	InChI=1S/C13H10ClN3O5S/c14-12-7-9(17(19)20)3-6-11(12)13(18)16-8-1-4-10(5-2-8)23(15,21)22/h1-7H,(H,16,18)(H2,15,21,22)
InChIKey	InChI	1.03	RYNWTIXQTVFOEO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	1350235

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