IC9

N-methyl-1-[(4-methylbenzyl)sulfonyl]methanamine

Created:	2013-04-10
Last modified:	2013-08-07

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1 entries where IC9 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	6

2D diagram of IC9

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Chemical Component Summary
Name	N-methyl-1-[(4-methylbenzyl)sulfonyl]methanamine
Systematic Name (OpenEye OEToolkits)	N-methyl-1-[(4-methylphenyl)methylsulfonyl]methanamine
Formula	C₁₀ H₁₅ N O₂ S
Molecular Weight	213.297
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(Cc1ccc(cc1)C)CNC
SMILES	CACTVS	3.370	CNC[S](=O)(=O)Cc1ccc(C)cc1
SMILES	OpenEye OEToolkits	1.7.6	Cc1ccc(cc1)CS(=O)(=O)CNC
Canonical SMILES	CACTVS	3.370	CNC[S](=O)(=O)Cc1ccc(C)cc1
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1ccc(cc1)CS(=O)(=O)CNC
InChI	InChI	1.03	InChI=1S/C10H15NO2S/c1-9-3-5-10(6-4-9)7-14(12,13)8-11-2/h3-6,11H,7-8H2,1-2H3
InChIKey	InChI	1.03	XASGHCUSPMUTIK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	137349548

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