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8DI

Summary
Name:N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)-2-fluorobenzene-1-sulfonamide
Synonyms:N-(2-cyclobutyl-1H-benzimidazol-5-yl)-2-fluoranyl-benzenesulfonamide
Formula:C17 H16 F N3 O2 S
Formal charge:0
Formula weight:345.391 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-(2-cyclobutyl-1~{H}-benzimidazol-5-yl)-2-fluoranyl-benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C17H16FN3O2S/c18-13-6-1-2-7-16(13)24(22,23)21-12-8-9-14-15(10-12)20-17(19-14)11-4-3-5-11/h1-2,6-11,21H,3-5H2,(H,19,20)
InChIKeyInChI1.06RNCGESUAFOAOBJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1ccccc1[S](=O)(=O)Nc2ccc3[nH]c(nc3c2)C4CCC4
SMILESCACTVS3.385Fc1ccccc1[S](=O)(=O)Nc2ccc3[nH]c(nc3c2)C4CCC4
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(c(c1)F)S(=O)(=O)Nc2ccc3c(c2)nc([nH]3)C4CCC4
SMILESOpenEye OEToolkits2.0.7c1ccc(c(c1)F)S(=O)(=O)Nc2ccc3c(c2)nc([nH]3)C4CCC4

221051

PDB entries from 2024-06-12

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