T0S

N-[(4-sulfamoylphenyl)methyl]acetamide

Created:	2020-03-16
Last modified:	2020-03-25

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2 entries where T0S is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	6

2D diagram of T0S

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Chemical Component Summary
Name	N-[(4-sulfamoylphenyl)methyl]acetamide
Systematic Name (OpenEye OEToolkits)	~{N}-[(4-sulfamoylphenyl)methyl]ethanamide
Formula	C₉ H₁₂ N₂ O₃ S
Molecular Weight	228.268
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1c(ccc(CNC(C)=O)c1)S(N)(=O)=O
SMILES	CACTVS	3.385	CC(=O)NCc1ccc(cc1)[S](N)(=O)=O
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)NCc1ccc(cc1)S(=O)(=O)N
Canonical SMILES	CACTVS	3.385	CC(=O)NCc1ccc(cc1)[S](N)(=O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(=O)NCc1ccc(cc1)S(=O)(=O)N
InChI	InChI	1.03	InChI=1S/C9H12N2O3S/c1-7(12)11-6-8-2-4-9(5-3-8)15(10,13)14/h2-5H,6H2,1H3,(H,11,12)(H2,10,13,14)
InChIKey	InChI	1.03	AHQONKCJXWTTOW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	74833
ChEMBL	CHEMBL72962

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