6SU

methyl 3-(methylsulfonylamino)benzoate

Created:	2016-06-15
Last modified:	2016-09-21

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9 entries where 6SU is found as a standalone ligand

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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 6SU

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Chemical Component Summary
Name	methyl 3-(methylsulfonylamino)benzoate
Systematic Name (OpenEye OEToolkits)	methyl 3-(methylsulfonylamino)benzoate
Formula	C₉ H₁₁ N O₄ S
Molecular Weight	229.253
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COC(=O)c1cccc(N[S](C)(=O)=O)c1
SMILES	OpenEye OEToolkits	2.0.5	COC(=O)c1cccc(c1)NS(=O)(=O)C
Canonical SMILES	CACTVS	3.385	COC(=O)c1cccc(N[S](C)(=O)=O)c1
Canonical SMILES	OpenEye OEToolkits	2.0.5	COC(=O)c1cccc(c1)NS(=O)(=O)C
InChI	InChI	1.03	InChI=1S/C9H11NO4S/c1-14-9(11)7-4-3-5-8(6-7)10-15(2,12)13/h3-6,10H,1-2H3
InChIKey	InChI	1.03	UQIOKJVVJMHUTP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2806372
ChEMBL	CHEMBL1384742
ChEBI	CHEBI:109448

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