6SU

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Summary

Name:methyl 3-(methylsulfonylamino)benzoate
Formula:C9 H11 N O4 S
Formal charge:0
Molecular weight:229.253 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.5methyl 3-(methylsulfonylamino)benzoate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C9H11NO4S/c1-14-9(11)7-4-3-5-8(6-7)10-15(2,12)13/h3-6,10H,1-2H3
InChIKeyInChI1.03UQIOKJVVJMHUTP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COC(=O)c1cccc(N[S](C)(=O)=O)c1
SMILESCACTVS3.385COC(=O)c1cccc(N[S](C)(=O)=O)c1
SMILES_CANONICALOpenEye OEToolkits2.0.5COC(=O)c1cccc(c1)NS(=O)(=O)C
SMILESOpenEye OEToolkits2.0.5COC(=O)c1cccc(c1)NS(=O)(=O)C
169117
PDB entries from 2020-09-23