X44
Summary
| Name: | 4-{[4-amino-5-(4-sulfamoylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide |
| Formula: | C16 H15 N5 O5 S3 |
| Formal charge: | 0 |
| Formula weight: | 453.516 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-{[4-amino-5-(4-sulfamoylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide |
| OpenEye OEToolkits | 1.7.0 | 4-[[4-azanyl-5-(4-sulfamoylphenyl)carbonyl-1,3-thiazol-2-yl]amino]benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(N)c1ccc(cc1)C(=O)c2sc(nc2N)Nc3ccc(cc3)S(=O)(=O)N |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)sc1C(=O)c3ccc(cc3)[S](N)(=O)=O |
| SMILES | CACTVS | 3.370 | Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)sc1C(=O)c3ccc(cc3)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N)S(=O)(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C16H15N5O5S3/c17-15-14(13(22)9-1-5-11(6-2-9)28(18,23)24)27-16(21-15)20-10-3-7-12(8-4-10)29(19,25)26/h1-8H,17H2,(H,20,21)(H2,18,23,24)(H2,19,25,26) |
| InChIKey | InChI | 1.03 | AIINAKYQKGXDFN-UHFFFAOYSA-N |
