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AG5

Summary
Name:N-(2-phenylethyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide
Formula:C20 H19 N3 O3 S2
Formal charge:0
Formula weight:413.513 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-(2-phenylethyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide
OpenEye OEToolkits1.5.0N-phenethyl-2-phenylsulfanyl-5-sulfamoyl-pyridine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(c2cnc(Sc1ccccc1)c(c2)C(=O)NCCc3ccccc3)N
SMILES_CANONICALCACTVS3.341N[S](=O)(=O)c1cnc(Sc2ccccc2)c(c1)C(=O)NCCc3ccccc3
SMILESCACTVS3.341N[S](=O)(=O)c1cnc(Sc2ccccc2)c(c1)C(=O)NCCc3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)CCNC(=O)c2cc(cnc2Sc3ccccc3)S(=O)(=O)N
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)CCNC(=O)c2cc(cnc2Sc3ccccc3)S(=O)(=O)N
InChIInChI1.03InChI=1S/C20H19N3O3S2/c21-28(25,26)17-13-18(19(24)22-12-11-15-7-3-1-4-8-15)20(23-14-17)27-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2,(H,22,24)(H2,21,25,26)
InChIKeyInChI1.03MGWPMEUXUFQQAQ-UHFFFAOYSA-N

219140

PDB entries from 2024-05-01

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