Z8R
Summary
Name: | 3-[4-(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-[4-(methylsulfonylaminomethyl)phenyl]benzoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C15H15NO4S/c1-21(19,20)16-10-11-5-7-12(8-6-11)13-3-2-4-14(9-13)15(17)18/h2-9,16H,10H2,1H3,(H,17,18) |
InChIKey | InChI | 1.03 | GDROHHKTEPPNSN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)NCc1ccc(cc1)c2cccc(c2)C(O)=O |
SMILES | CACTVS | 3.385 | C[S](=O)(=O)NCc1ccc(cc1)c2cccc(c2)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CS(=O)(=O)NCc1ccc(cc1)c2cccc(c2)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CS(=O)(=O)NCc1ccc(cc1)c2cccc(c2)C(=O)O |