ROK
Summary
| Name: | 4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDE |
| Formula: | C9 H13 N3 O3 S2 |
| Formal charge: | 0 |
| Formula weight: | 275.348 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-amino-N-[(2-sulfanylethyl)carbamoyl]benzenesulfonamide |
| OpenEye OEToolkits | 1.5.0 | 1-(4-aminophenyl)sulfonyl-3-(2-sulfanylethyl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(c1ccc(N)cc1)NC(=O)NCCS |
| SMILES_CANONICAL | CACTVS | 3.341 | Nc1ccc(cc1)[S](=O)(=O)NC(=O)NCCS |
| SMILES | CACTVS | 3.341 | Nc1ccc(cc1)[S](=O)(=O)NC(=O)NCCS |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1N)S(=O)(=O)NC(=O)NCCS |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1N)S(=O)(=O)NC(=O)NCCS |
| InChI | InChI | 1.03 | InChI=1S/C9H13N3O3S2/c10-7-1-3-8(4-2-7)17(14,15)12-9(13)11-5-6-16/h1-4,16H,5-6,10H2,(H2,11,12,13) |
| InChIKey | InChI | 1.03 | LHVDNDIAMJOEKH-UHFFFAOYSA-N |
