YR9
Summary
| Name: | N-[2-[4-[(3-bromophenyl)carbamoylsulfamoyl]phenyl]ethyl]ethanamide |
| Formula: | C17 H18 Br N3 O4 S |
| Formal charge: | 0 |
| Formula weight: | 440.312 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[2-[4-[(3-bromophenyl)carbamoylsulfamoyl]phenyl]ethyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H18BrN3O4S/c1-12(22)19-10-9-13-5-7-16(8-6-13)26(24,25)21-17(23)20-15-4-2-3-14(18)11-15/h2-8,11H,9-10H2,1H3,(H,19,22)(H2,20,21,23) |
| InChIKey | InChI | 1.06 | AXXRNELZCKOELA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NCCc1ccc(cc1)[S](=O)(=O)NC(=O)Nc2cccc(Br)c2 |
| SMILES | CACTVS | 3.385 | CC(=O)NCCc1ccc(cc1)[S](=O)(=O)NC(=O)Nc2cccc(Br)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)Nc2cccc(c2)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)Nc2cccc(c2)Br |
