72G
Summary
| Name: | 4-(3-formylphenyl)-benzenesulfonamide |
| Synonyms: | 3'-formyl[1,1'-biphenyl]-4-sulfonamide |
| Formula: | C13 H11 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 261.296 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3'-formyl[1,1'-biphenyl]-4-sulfonamide |
| OpenEye OEToolkits | 2.0.5 | 4-(3-methanoylphenyl)benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=Cc1cc(ccc1)c2ccc(S(=O)(=O)N)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C13H11NO3S/c14-18(16,17)13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-15/h1-9H,(H2,14,16,17) |
| InChIKey | InChI | 1.03 | JBAOMUKVIWMCLG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(cc1)c2cccc(C=O)c2 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(cc1)c2cccc(C=O)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1cc(cc(c1)c2ccc(cc2)S(=O)(=O)N)C=O |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1cc(cc(c1)c2ccc(cc2)S(=O)(=O)N)C=O |
