A1AJE
Summary
Name: | (S~1~R)-3-carbamoyl-4-methoxybenzene-1-sulfinic acid |
Formula: | C8 H9 N O4 S |
Formal charge: | 0 |
Formula weight: | 215.226 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (S~1~R)-3-carbamoyl-4-methoxybenzene-1-sulfinic acid |
OpenEye OEToolkits | 2.0.7 | 3-aminocarbonyl-4-methoxy-benzenesulfinic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OS(=O)c1cc(c(OC)cc1)C(N)=O |
InChI | InChI | 1.06 | InChI=1S/C8H9NO4S/c1-13-7-3-2-5(14(11)12)4-6(7)8(9)10/h2-4H,1H3,(H2,9,10)(H,11,12) |
InChIKey | InChI | 1.06 | ORKHLRISPIOULZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1C(N)=O)[S](O)=O |
SMILES | CACTVS | 3.385 | COc1ccc(cc1C(N)=O)[S](O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1C(=O)N)S(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1C(=O)N)S(=O)O |