UHN

4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzaldehyde

Created:	2021-02-23
Last modified:	2024-09-27

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

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	0
Bond Count	46
Aromatic Bond Count	6

2D diagram of UHN

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Chemical Component Summary
Name	4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzaldehyde
Systematic Name (OpenEye OEToolkits)	4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzaldehyde
Formula	C₁₆ H₂₂ N₂ O₃ S
Molecular Weight	322.422
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=Cc1ccc(cc1)[S](=O)(=O)N2CCC(CC2)N3CCCC3
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C=O)S(=O)(=O)N2CCC(CC2)N3CCCC3
Canonical SMILES	CACTVS	3.385	O=Cc1ccc(cc1)[S](=O)(=O)N2CCC(CC2)N3CCCC3
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C=O)S(=O)(=O)N2CCC(CC2)N3CCCC3
InChI	InChI	1.03	InChI=1S/C16H22N2O3S/c19-13-14-3-5-16(6-4-14)22(20,21)18-11-7-15(8-12-18)17-9-1-2-10-17/h3-6,13,15H,1-2,7-12H2
InChIKey	InChI	1.03	OBIKKFYXQXDQPX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	155923731

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