T4D

2-[(4-acetylpiperazin-1-yl)sulfonyl]benzonitrile

Created:	2020-03-16
Last modified:	2024-09-27

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1 entries where T4D is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	6

2D diagram of T4D

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Chemical Component Summary
Name	2-[(4-acetylpiperazin-1-yl)sulfonyl]benzonitrile
Systematic Name (OpenEye OEToolkits)	2-(4-ethanoylpiperazin-1-yl)sulfonylbenzenecarbonitrile
Formula	C₁₃ H₁₅ N₃ O₃ S
Molecular Weight	293.342
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N1(CCN(CC1)C(C)=O)S(c2ccccc2C#N)(=O)=O
SMILES	CACTVS	3.385	CC(=O)N1CCN(CC1)[S](=O)(=O)c2ccccc2C#N
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)N1CCN(CC1)S(=O)(=O)c2ccccc2C#N
Canonical SMILES	CACTVS	3.385	CC(=O)N1CCN(CC1)[S](=O)(=O)c2ccccc2C#N
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(=O)N1CCN(CC1)S(=O)(=O)c2ccccc2C#N
InChI	InChI	1.03	InChI=1S/C13H15N3O3S/c1-11(17)15-6-8-16(9-7-15)20(18,19)13-5-3-2-4-12(13)10-14/h2-5H,6-9H2,1H3
InChIKey	InChI	1.03	GOCXXCRVJCAULM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	3803220

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