YOO

3-methoxy-5-(1-methylpiperidin-4-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide

Created:	2023-02-15
Last modified:	2023-02-22

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1 entries where YOO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	63
Chiral Atom Count	0
Bond Count	66
Aromatic Bond Count	12

2D diagram of YOO

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Chemical Component Summary
Name	3-methoxy-5-(1-methylpiperidin-4-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide
Systematic Name (OpenEye OEToolkits)	3-methoxy-5-(1-methylpiperidin-4-yl)-~{N}-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
Formula	C₂₄ H₃₁ N₃ O₄ S
Molecular Weight	457.586
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(c1ccc(NC(=O)c2cc(cc(OC)c2)C2CCN(C)CC2)cc1)N1CCCC1
SMILES	CACTVS	3.385	COc1cc(cc(c1)C(=O)Nc2ccc(cc2)[S](=O)(=O)N3CCCC3)C4CCN(C)CC4
SMILES	OpenEye OEToolkits	2.0.7	CN1CCC(CC1)c2cc(cc(c2)OC)C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCCC4
Canonical SMILES	CACTVS	3.385	COc1cc(cc(c1)C(=O)Nc2ccc(cc2)[S](=O)(=O)N3CCCC3)C4CCN(C)CC4
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN1CCC(CC1)c2cc(cc(c2)OC)C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCCC4
InChI	InChI	1.06	InChI=1S/C24H31N3O4S/c1-26-13-9-18(10-14-26)19-15-20(17-22(16-19)31-2)24(28)25-21-5-7-23(8-6-21)32(29,30)27-11-3-4-12-27/h5-8,15-18H,3-4,9-14H2,1-2H3,(H,25,28)
InChIKey	InChI	1.06	JTGUXSIYSIXMPK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	166625105

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.