D7A

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide

Created:2012-01-05
Last modified:  2012-01-05

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Chemical Details

Formal Charge0
Atom Count45
Chiral Atom Count0
Bond Count46
Aromatic Bond Count12
2D diagram of D7A

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Chemical Component Summary

NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide
Systematic Name (OpenEye OEToolkits)N-[2-(3,4-dimethoxyphenyl)ethyl]-4-sulfamoyl-benzamide
FormulaC17 H20 N2 O5 S
Molecular Weight364.416
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(N)c2ccc(C(=O)NCCc1ccc(OC)c(OC)c1)cc2
SMILESCACTVS3.370COc1ccc(CCNC(=O)c2ccc(cc2)[S](N)(=O)=O)cc1OC
SMILESOpenEye OEToolkits1.7.6COc1ccc(cc1OC)CCNC(=O)c2ccc(cc2)S(=O)(=O)N
Canonical SMILESCACTVS3.370 COc1ccc(CCNC(=O)c2ccc(cc2)[S](N)(=O)=O)cc1OC
Canonical SMILESOpenEye OEToolkits1.7.6 COc1ccc(cc1OC)CCNC(=O)c2ccc(cc2)S(=O)(=O)N
InChIInChI1.03 InChI=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)
InChIKeyInChI1.03 ZVVZHSQXKXOTQG-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL2048917
PubChem 21806575
ChEMBL CHEMBL2048917