A1H6C

(4-sulfamoylphenyl) 3-(4-methylphenyl)sulfanylpropanoate

Created:	2024-03-18
Last modified:	2025-03-26

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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 A1H6C

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Chemical Component Summary
Name	(4-sulfamoylphenyl) 3-(4-methylphenyl)sulfanylpropanoate
Synonyms	4-sulfamoylphenyl 3-(p-tolylthio)propanoate
Systematic Name (OpenEye OEToolkits)	(4-sulfamoylphenyl) 3-(4-methylphenyl)sulfanylpropanoate
Formula	C₁₆ H₁₇ N O₄ S₂
Molecular Weight	351.44
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1ccc(SCCC(=O)Oc2ccc(cc2)[S](N)(=O)=O)cc1
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1)SCCC(=O)Oc2ccc(cc2)S(=O)(=O)N
Canonical SMILES	CACTVS	3.385	Cc1ccc(SCCC(=O)Oc2ccc(cc2)[S](N)(=O)=O)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1)SCCC(=O)Oc2ccc(cc2)S(=O)(=O)N
InChI	InChI	1.06	InChI=1S/C16H17NO4S2/c1-12-2-6-14(7-3-12)22-11-10-16(18)21-13-4-8-15(9-5-13)23(17,19)20/h2-9H,10-11H2,1H3,(H2,17,19,20)
InChIKey	InChI	1.06	AQONNBBQRNVHRO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	172877921

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