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87B

Summary
Name:N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)benzenesulfonamide
Formula:C17 H17 N3 O2 S
Formal charge:0
Formula weight:327.401 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C17H17N3O2S/c21-23(22,14-7-2-1-3-8-14)20-13-9-10-15-16(11-13)19-17(18-15)12-5-4-6-12/h1-3,7-12,20H,4-6H2,(H,18,19)
InChIKeyInChI1.06JZOKLZGVRONABT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=[S](=O)(Nc1ccc2[nH]c(nc2c1)C3CCC3)c4ccccc4
SMILESCACTVS3.385O=[S](=O)(Nc1ccc2[nH]c(nc2c1)C3CCC3)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)S(=O)(=O)Nc2ccc3c(c2)nc([nH]3)C4CCC4
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)S(=O)(=O)Nc2ccc3c(c2)nc([nH]3)C4CCC4

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數據於2024-07-17公開中

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