IWE
Summary
| Name: | Azosemide |
| Synonyms: | 2-chloranyl-5-(1~{H}-1,2,3,4-tetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide |
| Formula: | C12 H11 Cl N6 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 370.838 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-chloranyl-5-(1~{H}-1,2,3,4-tetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H11ClN6O2S2/c13-9-5-10(15-6-7-2-1-3-22-7)8(12-16-18-19-17-12)4-11(9)23(14,20)21/h1-5,15H,6H2,(H2,14,20,21)(H,16,17,18,19) |
| InChIKey | InChI | 1.06 | HMEDEBAJARCKCT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1cc(c(NCc2sccc2)cc1Cl)c3[nH]nnn3 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1cc(c(NCc2sccc2)cc1Cl)c3[nH]nnn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)CNc2cc(c(cc2c3[nH]nnn3)S(=O)(=O)N)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)CNc2cc(c(cc2c3[nH]nnn3)S(=O)(=O)N)Cl |
