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D7A

Summary
Name:N-[2-(3,4-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide
Formula:C17 H20 N2 O5 S
Formal charge:0
Formula weight:364.416 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[2-(3,4-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide
OpenEye OEToolkits1.7.6N-[2-(3,4-dimethoxyphenyl)ethyl]-4-sulfamoyl-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(N)c2ccc(C(=O)NCCc1ccc(OC)c(OC)c1)cc2
InChIInChI1.03InChI=1S/C17H20N2O5S/c1-23-15-8-3-12(11-16(15)24-2)9-10-19-17(20)13-4-6-14(7-5-13)25(18,21)22/h3-8,11H,9-10H2,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyInChI1.03ZVVZHSQXKXOTQG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370COc1ccc(CCNC(=O)c2ccc(cc2)[S](N)(=O)=O)cc1OC
SMILESCACTVS3.370COc1ccc(CCNC(=O)c2ccc(cc2)[S](N)(=O)=O)cc1OC
SMILES_CANONICALOpenEye OEToolkits1.7.6COc1ccc(cc1OC)CCNC(=O)c2ccc(cc2)S(=O)(=O)N
SMILESOpenEye OEToolkits1.7.6COc1ccc(cc1OC)CCNC(=O)c2ccc(cc2)S(=O)(=O)N

219869

PDB entries from 2024-05-15

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