61K
Summary
| Name: | (3Z)-N-[2-(1H-imidazol-4-yl)ethyl]-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxamide |
| Formula: | C20 H19 N7 O4 S |
| Formal charge: | 0 |
| Formula weight: | 453.474 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3Z)-N-[2-(1H-imidazol-4-yl)ethyl]-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxamide |
| OpenEye OEToolkits | 1.7.2 | (3Z)-N-[2-(1H-imidazol-4-yl)ethyl]-2-oxidanylidene-3-[(4-sulfamoylphenyl)hydrazinylidene]-1H-indole-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(N)c1ccc(cc1)N/N=C3/c2cc(ccc2NC3=O)C(=O)NCCc4ncnc4 |
| InChI | InChI | 1.03 | InChI=1S/C20H19N7O4S/c21-32(30,31)15-4-2-13(3-5-15)26-27-18-16-9-12(1-6-17(16)25-20(18)29)19(28)23-8-7-14-10-22-11-24-14/h1-6,9-11,26H,7-8H2,(H,22,24)(H,23,28)(H2,21,30,31)(H,25,27,29) |
| InChIKey | InChI | 1.03 | CQSUILWVYSOEJC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[S](=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)C(=O)NCCc4c[nH]cn4)cc1 |
| SMILES | CACTVS | 3.370 | N[S](=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(=O)NCCc4c[nH]cn4)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc(ccc1N/N=C\2/c3cc(ccc3NC2=O)C(=O)NCCc4c[nH]cn4)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1cc(ccc1NN=C2c3cc(ccc3NC2=O)C(=O)NCCc4c[nH]cn4)S(=O)(=O)N |
