A1IYP

~{N}-methyl-~{N}-[[(3~{S})-1-(phenylmethyl)pyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide

Created:	2025-01-14
Last modified:	2025-07-02

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1 entries where A1IYP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	54
Chiral Atom Count	1
Bond Count	57
Aromatic Bond Count	17

2D diagram of A1IYP

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Chemical Component Summary
Name	~{N}-methyl-~{N}-[[(3~{S})-1-(phenylmethyl)pyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide
Systematic Name (OpenEye OEToolkits)	~{N}-methyl-~{N}-[[(3~{S})-1-(phenylmethyl)pyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide
Formula	C₂₃ H₂₆ N₂ O₂ S
Molecular Weight	394.53
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN(C[CH]1CCN(C1)Cc2ccccc2)[S](=O)(=O)c3ccc4ccccc4c3
SMILES	OpenEye OEToolkits	2.0.7	CN(CC1CCN(C1)Cc2ccccc2)S(=O)(=O)c3ccc4ccccc4c3
Canonical SMILES	CACTVS	3.385	CN(C[C@H]1CCN(C1)Cc2ccccc2)[S](=O)(=O)c3ccc4ccccc4c3
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN(C[C@H]1CCN(C1)Cc2ccccc2)S(=O)(=O)c3ccc4ccccc4c3
InChI	InChI	1.06	InChI=1S/C23H26N2O2S/c1-24(16-20-13-14-25(18-20)17-19-7-3-2-4-8-19)28(26,27)23-12-11-21-9-5-6-10-22(21)15-23/h2-12,15,20H,13-14,16-18H2,1H3
InChIKey	InChI	1.06	FNPKLEUPADIGIY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	175684248

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.