| PDB CCD ID: | HS1 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C12 H16 N2 O7 S |
| InChI: | InChI=1S/C12H16N2O7S/c1-21-10-2-4-11(5-3-10)22(19,20)14(6-9(16)8-15)7-12(17)13-18/h2-5,9,15-16H,6-8H2,1H3/t9-/m0/s1 |
| InChIKey: | VGUSUBJRLNGCHT-VIFPVBQESA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | COc1ccc(cc1)[S](=O)(=O)N(C[CH](O)CO)CC(=O)N=O | | ACDLabs 10.04 | O=NC(=O)CN(S(=O)(=O)c1ccc(OC)cc1)CC(O)CO | | OpenEye OEToolkits 1.5.0 | COc1ccc(cc1)S(=O)(=O)N(CC(CO)O)CC(=O)N=O | | OpenEye OEToolkits 1.5.0 | COc1ccc(cc1)S(=O)(=O)[N@@](C[C@@H](CO)O)CC(=O)N=O | | CACTVS 3.341 | COc1ccc(cc1)[S](=O)(=O)N(C[C@H](O)CO)CC(=O)N=O |
|
| Name: | 2-[[(2S)-2,3-dihydroxypropyl]-(4-methoxyphenyl)sulfonyl-amino]-N-oxo-ethanamide;
(S)-N-(2,3-dihydroxypropyl)-4-methoxy-N-(2-nitroso-2-oxoethyl)benzenesulfonamide |
| ZINC: | ZINC000039715704 |
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