FS7
Summary
| Name: | (2S)-1-oxo-1-[(4-sulfamoylphenyl)amino]propan-2-yl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate |
| Formula: | C24 H25 N3 O5 S |
| Formal charge: | 0 |
| Formula weight: | 467.537 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-1-oxo-1-[(4-sulfamoylphenyl)amino]propan-2-yl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate |
| OpenEye OEToolkits | 1.7.6 | [(2S)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(N)c1ccc(cc1)NC(=O)C(OC(=O)c2c4c(nc3c2CC(CC3)C)cccc4)C |
| InChI | InChI | 1.03 | InChI=1S/C24H25N3O5S/c1-14-7-12-21-19(13-14)22(18-5-3-4-6-20(18)27-21)24(29)32-15(2)23(28)26-16-8-10-17(11-9-16)33(25,30)31/h3-6,8-11,14-15H,7,12-13H2,1-2H3,(H,26,28)(H2,25,30,31)/t14-,15-/m0/s1 |
| InChIKey | InChI | 1.03 | ZICDFSXBQFNQBM-GJZGRUSLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CCc2nc3ccccc3c(C(=O)O[C@@H](C)C(=O)Nc4ccc(cc4)[S](N)(=O)=O)c2C1 |
| SMILES | CACTVS | 3.385 | C[CH]1CCc2nc3ccccc3c(C(=O)O[CH](C)C(=O)Nc4ccc(cc4)[S](N)(=O)=O)c2C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H]1CCc2c(c(c3ccccc3n2)C(=O)O[C@@H](C)C(=O)Nc4ccc(cc4)S(=O)(=O)N)C1 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1CCc2c(c(c3ccccc3n2)C(=O)OC(C)C(=O)Nc4ccc(cc4)S(=O)(=O)N)C1 |
