I1P
Summary
| Name: | 2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPHAMOYL)ANILINO]- |
| Synonyms: | N-[3-(DIMETHYLAMINO)PROPYL]-4-[(4-IMIDAZO[1,2-B]PYRIDAZIN-3-YL-2-PYRIMIDINYL)AMINO]BENZENESULFONAMIDE |
| Formula: | C21 H24 N8 O2 S |
| Formal charge: | 0 |
| Formula weight: | 452.533 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[3-(dimethylamino)propyl]-4-[(4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide |
| OpenEye OEToolkits | 1.5.0 | N-(3-dimethylaminopropyl)-4-[(4-imidazo[2,3-f]pyridazin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(NCCCN(C)C)c1ccc(cc1)Nc2nccc(n2)c3cnc4cccnn34 |
| SMILES_CANONICAL | CACTVS | 3.341 | CN(C)CCCN[S](=O)(=O)c1ccc(Nc2nccc(n2)c3cnc4cccnn34)cc1 |
| SMILES | CACTVS | 3.341 | CN(C)CCCN[S](=O)(=O)c1ccc(Nc2nccc(n2)c3cnc4cccnn34)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(C)CCCNS(=O)(=O)c1ccc(cc1)Nc2nccc(n2)c3cnc4n3nccc4 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN(C)CCCNS(=O)(=O)c1ccc(cc1)Nc2nccc(n2)c3cnc4n3nccc4 |
| InChI | InChI | 1.03 | InChI=1S/C21H24N8O2S/c1-28(2)14-4-12-25-32(30,31)17-8-6-16(7-9-17)26-21-22-13-10-18(27-21)19-15-23-20-5-3-11-24-29(19)20/h3,5-11,13,15,25H,4,12,14H2,1-2H3,(H,22,26,27) |
| InChIKey | InChI | 1.03 | BBZUBCUIVIEBCP-UHFFFAOYSA-N |
