UVN

4-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzaldehyde

Created:	2021-03-23
Last modified:	2024-09-27

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	6

2D diagram of UVN

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Chemical Component Summary
Name	4-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzaldehyde
Systematic Name (OpenEye OEToolkits)	4-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzaldehyde
Formula	C₁₁ H₁₂ N₂ O₄ S
Molecular Weight	268.289
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=Cc1ccc(cc1)[S](=O)(=O)N2CCNC(=O)C2
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C=O)S(=O)(=O)N2CCNC(=O)C2
Canonical SMILES	CACTVS	3.385	O=Cc1ccc(cc1)[S](=O)(=O)N2CCNC(=O)C2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C=O)S(=O)(=O)N2CCNC(=O)C2
InChI	InChI	1.03	InChI=1S/C11H12N2O4S/c14-8-9-1-3-10(4-2-9)18(16,17)13-6-5-12-11(15)7-13/h1-4,8H,5-7H2,(H,12,15)
InChIKey	InChI	1.03	AGWGMFBDKFNHRP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	155923742

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