IW7

2-(PENTYLSULFAMOYL)-4-SULFAMOYLBENZOIC ACID

Created:	2015-03-10
Last modified:	2015-04-08

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1 entries where IW7 is found as a standalone ligand

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

2D diagram of IW7

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Chemical Component Summary
Name	2-(PENTYLSULFAMOYL)-4-SULFAMOYLBENZOIC ACID
Systematic Name (OpenEye OEToolkits)	2-(pentylsulfamoyl)-4-sulfamoyl-benzoic acid
Formula	C₁₂ H₁₈ N₂ O₆ S₂
Molecular Weight	350.411
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCCCCN[S](=O)(=O)c1cc(ccc1C(O)=O)[S](N)(=O)=O
SMILES	OpenEye OEToolkits	1.7.6	CCCCCNS(=O)(=O)c1cc(ccc1C(=O)O)S(=O)(=O)N
Canonical SMILES	CACTVS	3.385	CCCCCN[S](=O)(=O)c1cc(ccc1C(O)=O)[S](N)(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCCCCNS(=O)(=O)c1cc(ccc1C(=O)O)S(=O)(=O)N
InChI	InChI	1.03	InChI=1S/C12H18N2O6S2/c1-2-3-4-7-14-22(19,20)11-8-9(21(13,17)18)5-6-10(11)12(15)16/h5-6,8,14H,2-4,7H2,1H3,(H,15,16)(H2,13,17,18)
InChIKey	InChI	1.03	AEZMRAYAYORFQC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	91667429

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