A1E1G
Summary
| Name: | 2-bromanyl-~{N}-[2-[4-[(3-phenylphenyl)carbamoylsulfamoyl]phenyl]ethyl]ethanamide |
| Formula: | C23 H22 Br N3 O4 S |
| Formal charge: | 0 |
| Formula weight: | 516.407 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-bromanyl-~{N}-[2-[4-[(3-phenylphenyl)carbamoylsulfamoyl]phenyl]ethyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C23H22BrN3O4S/c24-16-22(28)25-14-13-17-9-11-21(12-10-17)32(30,31)27-23(29)26-20-8-4-7-19(15-20)18-5-2-1-3-6-18/h1-12,15H,13-14,16H2,(H,25,28)(H2,26,27,29) |
| InChIKey | InChI | 1.06 | WHYCOKOSAWMNJL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | BrCC(=O)NCCc1ccc(cc1)[S](=O)(=O)NC(=O)Nc2cccc(c2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | BrCC(=O)NCCc1ccc(cc1)[S](=O)(=O)NC(=O)Nc2cccc(c2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2cccc(c2)NC(=O)NS(=O)(=O)c3ccc(cc3)CCNC(=O)CBr |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2cccc(c2)NC(=O)NS(=O)(=O)c3ccc(cc3)CCNC(=O)CBr |
