R15
Summary
| Name: | N,N'-(heptane-1,7-diyldicarbamoyl)bis(3-chlorobenzenesulfonamide) |
| Formula: | C21 H26 Cl2 N4 O6 S2 |
| Formal charge: | 0 |
| Formula weight: | 565.49 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N,N'-(heptane-1,7-diyldicarbamoyl)bis(3-chlorobenzenesulfonamide) |
| OpenEye OEToolkits | 1.5.0 | 1-(3-chlorophenyl)sulfonyl-3-[7-[(3-chlorophenyl)sulfonylcarbamoylamino]heptyl]urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(c1cc(Cl)ccc1)NC(=O)NCCCCCCCNC(=O)NS(=O)(=O)c2cccc(Cl)c2 |
| SMILES_CANONICAL | CACTVS | 3.341 | Clc1cccc(c1)[S](=O)(=O)NC(=O)NCCCCCCCNC(=O)N[S](=O)(=O)c2cccc(Cl)c2 |
| SMILES | CACTVS | 3.341 | Clc1cccc(c1)[S](=O)(=O)NC(=O)NCCCCCCCNC(=O)N[S](=O)(=O)c2cccc(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)NCCCCCCCNC(=O)NS(=O)(=O)c2cccc(c2)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)NCCCCCCCNC(=O)NS(=O)(=O)c2cccc(c2)Cl |
| InChI | InChI | 1.03 | InChI=1S/C21H26Cl2N4O6S2/c22-16-8-6-10-18(14-16)34(30,31)26-20(28)24-12-4-2-1-3-5-13-25-21(29)27-35(32,33)19-11-7-9-17(23)15-19/h6-11,14-15H,1-5,12-13H2,(H2,24,26,28)(H2,25,27,29) |
| InChIKey | InChI | 1.03 | WYYQITAYQRQOJA-UHFFFAOYSA-N |
