F1A

2,4,6-trimethylbenzenesulfonamide

Created:	2012-11-30
Last modified:	2014-09-05

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	6

2D diagram of F1A

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Chemical Component Summary
Name	2,4,6-trimethylbenzenesulfonamide
Systematic Name (OpenEye OEToolkits)	2,4,6-trimethylbenzenesulfonamide
Formula	C₉ H₁₃ N O₂ S
Molecular Weight	199.27
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(N)c1c(cc(cc1C)C)C
SMILES	CACTVS	3.385	Cc1cc(C)c(c(C)c1)[S](N)(=O)=O
SMILES	OpenEye OEToolkits	1.9.2	Cc1cc(c(c(c1)C)S(=O)(=O)N)C
Canonical SMILES	CACTVS	3.385	Cc1cc(C)c(c(C)c1)[S](N)(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	Cc1cc(c(c(c1)C)S(=O)(=O)N)C
InChI	InChI	1.03	InChI=1S/C9H13NO2S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-5H,1-3H3,(H2,10,11,12)
InChIKey	InChI	1.03	YECJUZIGFPJWGQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	258545

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