G1N
Summary
Name: | 5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid |
Formula: | C9 H7 N3 O4 S2 |
Formal charge: | 0 |
Formula weight: | 285.3 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | 5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C9H7N3O4S2/c13-9(14)7-8(17-5-11-7)12-18(15,16)6-2-1-3-10-4-6/h1-5,12H,(H,13,14) |
InChIKey | InChI | 1.03 | OLGRJQGVXXCIMN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ncsc1N[S](=O)(=O)c2cccnc2 |
SMILES | CACTVS | 3.385 | OC(=O)c1ncsc1N[S](=O)(=O)c2cccnc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cnc1)S(=O)(=O)Nc2c(ncs2)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cnc1)S(=O)(=O)Nc2c(ncs2)C(=O)O |