D3B

1-(2,5-dimethylphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea

Created:	2017-12-15
Last modified:	2018-10-10

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1 entries where D3B is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	12

2D diagram of D3B

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Chemical Component Summary
Name	1-(2,5-dimethylphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea
Systematic Name (OpenEye OEToolkits)	1-(2,5-dimethylphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea
Formula	C₁₅ H₁₇ N₃ O₄ S
Molecular Weight	335.378
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1ccc(C)c(NC(=O)Nc2cc(ccc2O)[S](N)(=O)=O)c1
SMILES	OpenEye OEToolkits	2.0.6	Cc1ccc(c(c1)NC(=O)Nc2cc(ccc2O)S(=O)(=O)N)C
Canonical SMILES	CACTVS	3.385	Cc1ccc(C)c(NC(=O)Nc2cc(ccc2O)[S](N)(=O)=O)c1
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1ccc(c(c1)NC(=O)Nc2cc(ccc2O)S(=O)(=O)N)C
InChI	InChI	1.03	InChI=1S/C15H17N3O4S/c1-9-3-4-10(2)12(7-9)17-15(20)18-13-8-11(23(16,21)22)5-6-14(13)19/h3-8,19H,1-2H3,(H2,16,21,22)(H2,17,18,20)
InChIKey	InChI	1.03	ITJAYNQSUKWUOO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL4286620
PubChem	134817797
ChEMBL	CHEMBL4286620

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