| PDB CCD ID: | AL1 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C13 H14 N2 O5 S3 |
| InChI: | InChI=1S/C13H14N2O5S3/c1-20-11-4-2-3-10(8-11)15-6-5-9-7-12(22(14,16)17)21-13(9)23(15,18)19/h2-4,7-8H,5-6H2,1H3,(H2,14,16,17) |
| InChIKey: | ICIXQGGQPKFQRL-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 10.04 | O=S(=O)(c1sc3c(c1)CCN(c2cccc(OC)c2)S3(=O)=O)N | | OpenEye OEToolkits 1.5.0 | COc1cccc(c1)N2CCc3cc(sc3S2(=O)=O)S(=O)(=O)N | | CACTVS 3.341 | COc1cccc(c1)N2CCc3cc(sc3[S]2(=O)=O)[S](N)(=O)=O |
|
| Name: | 3,,4-DIHYDRO-2-(3-METHOXYPHENYL)-2H-THIENO-[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE;
AL7182 |
| ChEMBL: | CHEMBL331858 |
| DrugBank: | DB02602 |
| ZINC: | ZINC000003870866 |
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