XOF

2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide

Created:	2022-12-02
Last modified:	2023-05-31

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Chemical Details
Formal Charge	0
Atom Count	58
Chiral Atom Count	0
Bond Count	61
Aromatic Bond Count	18

2D diagram of XOF

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Chemical Component Summary
Name	2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
Systematic Name (OpenEye OEToolkits)	2-chloranyl-5-[ethyl(phenyl)sulfamoyl]-~{N}-[2-(2-oxidanylidenepyrrolidin-1-yl)phenyl]benzamide
Formula	C₂₅ H₂₄ Cl N₃ O₄ S
Molecular Weight	497.994
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CCN(c1ccccc1)S(=O)(=O)c1cc(c(Cl)cc1)C(=O)Nc1ccccc1N1CCCC1=O
SMILES	CACTVS	3.385	CCN(c1ccccc1)[S](=O)(=O)c2ccc(Cl)c(c2)C(=O)Nc3ccccc3N4CCCC4=O
SMILES	OpenEye OEToolkits	2.0.7	CCN(c1ccccc1)S(=O)(=O)c2ccc(c(c2)C(=O)Nc3ccccc3N4CCCC4=O)Cl
Canonical SMILES	CACTVS	3.385	CCN(c1ccccc1)[S](=O)(=O)c2ccc(Cl)c(c2)C(=O)Nc3ccccc3N4CCCC4=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCN(c1ccccc1)S(=O)(=O)c2ccc(c(c2)C(=O)Nc3ccccc3N4CCCC4=O)Cl
InChI	InChI	1.06	InChI=1S/C25H24ClN3O4S/c1-2-29(18-9-4-3-5-10-18)34(32,33)19-14-15-21(26)20(17-19)25(31)27-22-11-6-7-12-23(22)28-16-8-13-24(28)30/h3-7,9-12,14-15,17H,2,8,13,16H2,1H3,(H,27,31)
InChIKey	InChI	1.06	DXAJOSDSBRJHSK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	16327855
ChEMBL	CHEMBL4470819

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