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3G4

Summary
Name:2-(6-{[(3-chloro-2-methylphenyl)sulfonyl]amino}pyridin-2-yl)-N,N-diethylacetamide
Formula:C18 H22 Cl N3 O3 S
Formal charge:0
Formula weight:395.904 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-(6-{[(3-chloro-2-methylphenyl)sulfonyl]amino}pyridin-2-yl)-N,N-diethylacetamide
OpenEye OEToolkits1.5.02-[6-[(3-chloro-2-methyl-phenyl)sulfonylamino]pyridin-2-yl]-N,N-diethyl-ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(Nc1nc(ccc1)CC(=O)N(CC)CC)c2cccc(Cl)c2C
SMILES_CANONICALCACTVS3.341CCN(CC)C(=O)Cc1cccc(N[S](=O)(=O)c2cccc(Cl)c2C)n1
SMILESCACTVS3.341CCN(CC)C(=O)Cc1cccc(N[S](=O)(=O)c2cccc(Cl)c2C)n1
SMILES_CANONICALOpenEye OEToolkits1.5.0CCN(CC)C(=O)Cc1cccc(n1)NS(=O)(=O)c2cccc(c2C)Cl
SMILESOpenEye OEToolkits1.5.0CCN(CC)C(=O)Cc1cccc(n1)NS(=O)(=O)c2cccc(c2C)Cl
InChIInChI1.03InChI=1S/C18H22ClN3O3S/c1-4-22(5-2)18(23)12-14-8-6-11-17(20-14)21-26(24,25)16-10-7-9-15(19)13(16)3/h6-11H,4-5,12H2,1-3H3,(H,20,21)
InChIKeyInChI1.03JNWQLOFSMUGRNY-UHFFFAOYSA-N

224004

PDB entries from 2024-08-21

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