A1E6E
Summary
| Name: | ~{N}-carbamimidoyl-2-methyl-4,5-bis(methylsulfonyl)benzamide |
| Formula: | C11 H15 N3 O5 S2 |
| Formal charge: | 0 |
| Formula weight: | 333.384 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-carbamimidoyl-2-methyl-4,5-bis(methylsulfonyl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H15N3O5S2/c1-6-4-8(20(2,16)17)9(21(3,18)19)5-7(6)10(15)14-11(12)13/h4-5H,1-3H3,(H4,12,13,14,15) |
| InChIKey | InChI | 1.06 | GROMEQPXDKRRIE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(c(cc1C(=O)NC(N)=N)[S](C)(=O)=O)[S](C)(=O)=O |
| SMILES | CACTVS | 3.385 | Cc1cc(c(cc1C(=O)NC(N)=N)[S](C)(=O)=O)[S](C)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\N)/NC(=O)c1cc(c(cc1C)S(=O)(=O)C)S(=O)(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(cc1C(=O)NC(=N)N)S(=O)(=O)C)S(=O)(=O)C |
