UKG
Summary
| Name: | 4-bromanyl-5-chloranyl-~{N}-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide |
| Formula: | C11 H7 Br Cl N5 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 420.693 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-bromanyl-5-chloranyl-~{N}-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H7BrClN5O2S2/c12-8-5-9(21-10(8)13)22(19,20)16-7-3-1-2-6(4-7)11-14-17-18-15-11/h1-5,16H,(H,14,15,17,18) |
| InChIKey | InChI | 1.06 | LKCZAUKSYHEDJR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1sc(cc1Br)[S](=O)(=O)Nc2cccc(c2)c3[nH]nnn3 |
| SMILES | CACTVS | 3.385 | Clc1sc(cc1Br)[S](=O)(=O)Nc2cccc(c2)c3[nH]nnn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)NS(=O)(=O)c2cc(c(s2)Cl)Br)c3[nH]nnn3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)NS(=O)(=O)c2cc(c(s2)Cl)Br)c3[nH]nnn3 |
