A1LVA

N-[3-[1,1-bis(oxidanylidene)-1,2-thiazolidin-2-yl]-4-chloranyl-phenyl]-2-methoxy-5-methyl-benzenesulfonamide

Created:	2023-12-17
Last modified:	2024-12-04

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1 entries where A1LVA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	0
Bond Count	48
Aromatic Bond Count	12

2D diagram of A1LVA

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Chemical Component Summary
Name	N-[3-[1,1-bis(oxidanylidene)-1,2-thiazolidin-2-yl]-4-chloranyl-phenyl]-2-methoxy-5-methyl-benzenesulfonamide
Systematic Name (OpenEye OEToolkits)	~{N}-[3-[1,1-bis(oxidanylidene)-1,2-thiazolidin-2-yl]-4-chloranyl-phenyl]-2-methoxy-5-methyl-benzenesulfonamide
Formula	C₁₇ H₁₉ Cl N₂ O₅ S₂
Molecular Weight	430.926
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1ccc(C)cc1[S](=O)(=O)Nc2ccc(Cl)c(c2)N3CCC[S]3(=O)=O
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(c(c1)S(=O)(=O)Nc2ccc(c(c2)N3CCCS3(=O)=O)Cl)OC
Canonical SMILES	CACTVS	3.385	COc1ccc(C)cc1[S](=O)(=O)Nc2ccc(Cl)c(c2)N3CCC[S]3(=O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(c(c1)S(=O)(=O)Nc2ccc(c(c2)N3CCCS3(=O)=O)Cl)OC
InChI	InChI	1.06	InChI=1S/C17H19ClN2O5S2/c1-12-4-7-16(25-2)17(10-12)27(23,24)19-13-5-6-14(18)15(11-13)20-8-3-9-26(20,21)22/h4-7,10-11,19H,3,8-9H2,1-2H3
InChIKey	InChI	1.06	PNCFQLGARJZZFI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	20962427

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.