EUM
Summary
| Name: | ~{N}-(2-aminophenyl)-4-[[2-oxidanylidene-2-[(4-sulfamoylphenyl)methylamino]ethyl]amino]benzamide |
| Synonyms: | N-(2-aminophenyl)-4-((2-oxo-2-((4-sulfamoylbenzyl)amino)ethyl)amino)benzamide |
| Formula: | C22 H23 N5 O4 S |
| Formal charge: | 0 |
| Formula weight: | 453.514 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(2-aminophenyl)-4-[[2-oxidanylidene-2-[(4-sulfamoylphenyl)methylamino]ethyl]amino]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H23N5O4S/c23-19-3-1-2-4-20(19)27-22(29)16-7-9-17(10-8-16)25-14-21(28)26-13-15-5-11-18(12-6-15)32(24,30)31/h1-12,25H,13-14,23H2,(H,26,28)(H,27,29)(H2,24,30,31) |
| InChIKey | InChI | 1.06 | KRLAWRCHRJIBIQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccccc1NC(=O)c2ccc(NCC(=O)NCc3ccc(cc3)[S](N)(=O)=O)cc2 |
| SMILES | CACTVS | 3.385 | Nc1ccccc1NC(=O)c2ccc(NCC(=O)NCc3ccc(cc3)[S](N)(=O)=O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)N)NC(=O)c2ccc(cc2)NCC(=O)NCc3ccc(cc3)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)N)NC(=O)c2ccc(cc2)NCC(=O)NCc3ccc(cc3)S(=O)(=O)N |
