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SBS

Summary
Name:(S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE
Formula:C19 H21 N3 O3 S
Formal charge:0
Formula weight:371.453 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-[(2S)-3-(1H-indol-1-yl)-2-methylpropyl]-4-sulfamoylbenzamide
OpenEye OEToolkits1.5.0N-[(2S)-3-indol-1-yl-2-methyl-propyl]-4-sulfamoyl-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(N)c1ccc(cc1)C(=O)NCC(C)Cn3c2ccccc2cc3
SMILES_CANONICALCACTVS3.341C[C@@H](CNC(=O)c1ccc(cc1)[S](N)(=O)=O)Cn2ccc3ccccc23
SMILESCACTVS3.341C[CH](CNC(=O)c1ccc(cc1)[S](N)(=O)=O)Cn2ccc3ccccc23
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@@H](CNC(=O)c1ccc(cc1)S(=O)(=O)N)Cn2ccc3c2cccc3
SMILESOpenEye OEToolkits1.5.0CC(CNC(=O)c1ccc(cc1)S(=O)(=O)N)Cn2ccc3c2cccc3
InChIInChI1.03InChI=1S/C19H21N3O3S/c1-14(13-22-11-10-15-4-2-3-5-18(15)22)12-21-19(23)16-6-8-17(9-7-16)26(20,24)25/h2-11,14H,12-13H2,1H3,(H,21,23)(H2,20,24,25)/t14-/m0/s1
InChIKeyInChI1.03ZFWHOUCRVSOZJE-AWEZNQCLSA-N

224572

數據於2024-09-04公開中

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