9V4
Summary
| Name: | 2-methylsulfonyl-N-(1-methyl-1,2,3,4-tetrazol-5-yl)-4-(trifluoromethyl)benzamide |
| Formula: | C11 H10 F3 N5 O3 S |
| Formal charge: | 0 |
| Formula weight: | 349.289 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-methylsulfonyl-~{N}-(1-methyl-1,2,3,4-tetrazol-5-yl)-4-(trifluoromethyl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H10F3N5O3S/c1-19-10(16-17-18-19)15-9(20)7-4-3-6(11(12,13)14)5-8(7)23(2,21)22/h3-5H,1-2H3,(H,15,16,18,20) |
| InChIKey | InChI | 1.03 | XOZLZZGMRLKTTP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nnnc1NC(=O)c2ccc(cc2[S](C)(=O)=O)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Cn1nnnc1NC(=O)c2ccc(cc2[S](C)(=O)=O)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c(nnn1)NC(=O)c2ccc(cc2S(=O)(=O)C)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c(nnn1)NC(=O)c2ccc(cc2S(=O)(=O)C)C(F)(F)F |
