XNF
Summary
| Name: | 4-[[(~{S})-dimethoxyphosphoryl-[4-[(~{S})-dimethoxyphosphoryl-[(4-sulfamoylphenyl)amino]methyl]phenyl]methyl]amino]benzenesulfonamide |
| Formula: | C24 H32 N4 O10 P2 S2 |
| Formal charge: | 0 |
| Formula weight: | 662.609 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[[(~{S})-dimethoxyphosphoryl-[4-[(~{S})-dimethoxyphosphoryl-[(4-sulfamoylphenyl)amino]methyl]phenyl]methyl]amino]benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H32N4O10P2S2/c1-35-39(29,36-2)23(27-19-9-13-21(14-10-19)41(25,31)32)17-5-7-18(8-6-17)24(40(30,37-3)38-4)28-20-11-15-22(16-12-20)42(26,33)34/h5-16,23-24,27-28H,1-4H3,(H2,25,31,32)(H2,26,33,34)/t23-,24+ |
| InChIKey | InChI | 1.06 | WAFYATGDBDLIRD-PSWAGMNNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[P](=O)(OC)[C@H](Nc1ccc(cc1)[S](N)(=O)=O)c2ccc(cc2)[C@@H](Nc3ccc(cc3)[S](N)(=O)=O)[P](=O)(OC)OC |
| SMILES | CACTVS | 3.385 | CO[P](=O)(OC)[CH](Nc1ccc(cc1)[S](N)(=O)=O)c2ccc(cc2)[CH](Nc3ccc(cc3)[S](N)(=O)=O)[P](=O)(OC)OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COP(=O)([C@@H](c1ccc(cc1)[C@@H](Nc2ccc(cc2)S(=O)(=O)N)P(=O)(OC)OC)Nc3ccc(cc3)S(=O)(=O)N)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | COP(=O)(C(c1ccc(cc1)C(Nc2ccc(cc2)S(=O)(=O)N)P(=O)(OC)OC)Nc3ccc(cc3)S(=O)(=O)N)OC |
