A1AK8
Summary
| Name: | 3-(dioxo-lambda~6~-sulfanyl)-N-phenylbenzene-1-sulfonamide |
| Formula: | C12 H11 N O4 S2 |
| Formal charge: | 0 |
| Formula weight: | 297.35 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(dioxo-lambda~6~-sulfanyl)-N-phenylbenzene-1-sulfonamide |
| OpenEye OEToolkits | 2.0.7 | 3-hydrosulfonyl-~{N}-phenyl-benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(Nc1ccccc1)c1cccc(c1)S(=O)=O |
| InChI | InChI | 1.06 | InChI=1S/C12H11NO4S2/c14-18(15)11-7-4-8-12(9-11)19(16,17)13-10-5-2-1-3-6-10/h1-9,13,18H |
| InChIKey | InChI | 1.06 | ZVZXMHZBQNOFLG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=[SH](=O)c1cccc(c1)[S](=O)(=O)Nc2ccccc2 |
| SMILES | CACTVS | 3.385 | O=[SH](=O)c1cccc(c1)[S](=O)(=O)Nc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)NS(=O)(=O)c2cccc(c2)S(=O)=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)NS(=O)(=O)c2cccc(c2)S(=O)=O |
