M8Q
Summary
| Name: | 3-[3-(methylsulfonylaminomethyl)phenyl]benzoic acid |
| Formula: | C15 H15 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 305.349 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-[3-(methylsulfonylaminomethyl)phenyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H15NO4S/c1-21(19,20)16-10-11-4-2-5-12(8-11)13-6-3-7-14(9-13)15(17)18/h2-9,16H,10H2,1H3,(H,17,18) |
| InChIKey | InChI | 1.03 | SPDMRDWNPIVNCJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)NCc1cccc(c1)c2cccc(c2)C(O)=O |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)NCc1cccc(c1)c2cccc(c2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CS(=O)(=O)NCc1cccc(c1)c2cccc(c2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CS(=O)(=O)NCc1cccc(c1)c2cccc(c2)C(=O)O |
