4H4
Summary
| Name: | 4-amino-N-[(1S,2R)-2-(4-sulfamoylphenyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide |
| Formula: | C12 H13 N5 O4 S |
| Formal charge: | 0 |
| Formula weight: | 323.328 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-amino-N-[(1S,2R)-2-(4-sulfamoylphenyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide |
| OpenEye OEToolkits | 1.9.2 | 4-azanyl-N-[(1S,2R)-2-(4-sulfamoylphenyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(ccc(c1)S(N)(=O)=O)C2CC2NC(c3c(N)non3)=O |
| InChI | InChI | 1.03 | InChI=1S/C12H13N5O4S/c13-11-10(16-21-17-11)12(18)15-9-5-8(9)6-1-3-7(4-2-6)22(14,19)20/h1-4,8-9H,5H2,(H2,13,17)(H,15,18)(H2,14,19,20)/t8-,9+/m1/s1 |
| InChIKey | InChI | 1.03 | ZXELRJOXFOOICP-BDAKNGLRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nonc1C(=O)N[C@H]2C[C@@H]2c3ccc(cc3)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | Nc1nonc1C(=O)N[CH]2C[CH]2c3ccc(cc3)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1[C@H]2C[C@@H]2NC(=O)c3c(non3)N)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1C2CC2NC(=O)c3c(non3)N)S(=O)(=O)N |
