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EWZ

Summary
Name:5-{[(4-tert-butyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide
Formula:C16 H18 Cl N3 O4 S2
Formal charge:0
Formula weight:415.915 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-{[(4-tert-butyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide
OpenEye OEToolkits1.7.65-[2-[(4-tert-butyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]-2-chloranyl-benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C2C=C(N=C(SCC(=O)c1ccc(Cl)c(c1)S(=O)(=O)N)N2)C(C)(C)C
InChIInChI1.03InChI=1S/C16H18ClN3O4S2/c1-16(2,3)13-7-14(22)20-15(19-13)25-8-11(21)9-4-5-10(17)12(6-9)26(18,23)24/h4-7H,8H2,1-3H3,(H2,18,23,24)(H,19,20,22)
InChIKeyInChI1.03RKXYDIJRXKLZIZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)(C)C1=CC(=O)NC(=N1)SCC(=O)c2ccc(Cl)c(c2)[S](N)(=O)=O
SMILESCACTVS3.385CC(C)(C)C1=CC(=O)NC(=N1)SCC(=O)c2ccc(Cl)c(c2)[S](N)(=O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6CC(C)(C)C1=CC(=O)NC(=N1)SCC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl
SMILESOpenEye OEToolkits1.7.6CC(C)(C)C1=CC(=O)NC(=N1)SCC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl

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PDB entries from 2024-07-10

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