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E38

Summary
Name:5-{[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide
Formula:C15 H11 Br Cl N3 O3 S2
Formal charge:0
Formula weight:460.753 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-{[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide
OpenEye OEToolkits1.7.05-[2-[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]-2-chloro-benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(N)c1c(Cl)ccc(c1)C(=O)CSc3nc2cc(Br)ccc2n3
SMILES_CANONICALCACTVS3.370N[S](=O)(=O)c1cc(ccc1Cl)C(=O)CSc2[nH]c3ccc(Br)cc3n2
SMILESCACTVS3.370N[S](=O)(=O)c1cc(ccc1Cl)C(=O)CSc2[nH]c3ccc(Br)cc3n2
SMILES_CANONICALOpenEye OEToolkits1.7.0c1cc(c(cc1C(=O)CSc2[nH]c3ccc(cc3n2)Br)S(=O)(=O)N)Cl
SMILESOpenEye OEToolkits1.7.0c1cc(c(cc1C(=O)CSc2[nH]c3ccc(cc3n2)Br)S(=O)(=O)N)Cl
InChIInChI1.03InChI=1S/C15H11BrClN3O3S2/c16-9-2-4-11-12(6-9)20-15(19-11)24-7-13(21)8-1-3-10(17)14(5-8)25(18,22)23/h1-6H,7H2,(H,19,20)(H2,18,22,23)
InChIKeyInChI1.03ABLVCEKUEJSYQL-UHFFFAOYSA-N

223532

PDB entries from 2024-08-07

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