NZ9
3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid
Created: | 2013-06-05 |
Last modified: | 2014-05-21 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 24 |
Chiral Atom Count | 0 |
Bond Count | 25 |
Aromatic Bond Count | 5 |
Chemical Component Summary | |
---|---|
Name | 3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid |
Systematic Name (OpenEye OEToolkits) | 3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid |
Formula | C8 H9 N O4 S2 |
Molecular Weight | 247.291 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(c1c(scc1)C(=O)O)NC2CC2 |
SMILES | CACTVS | 3.370 | OC(=O)c1sccc1[S](=O)(=O)NC2CC2 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1csc(c1S(=O)(=O)NC2CC2)C(=O)O |
Canonical SMILES | CACTVS | 3.370 | OC(=O)c1sccc1[S](=O)(=O)NC2CC2 |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | c1csc(c1S(=O)(=O)NC2CC2)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C8H9NO4S2/c10-8(11)7-6(3-4-14-7)15(12,13)9-5-1-2-5/h3-5,9H,1-2H2,(H,10,11) |
InChIKey | InChI | 1.03 | LMYZTCQLGNOUQX-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 16227156 |