A1IKF
Summary
| Name: | N-(2-(2-(2-acetamidoethoxy)ethoxy)ethyl)-3-(N-(1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)-2,3-dihydro-1H-benzo[d]imidazol-5-yl)sulfamoyl)benzamide |
| Formula: | C33 H41 N5 O9 S |
| Formal charge: | 0 |
| Formula weight: | 683.772 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]-3-[[1,3-dimethyl-2-oxidanylidene-6-(3-propoxyphenoxy)benzimidazol-5-yl]sulfamoyl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C33H41N5O9S/c1-5-14-46-25-9-7-10-26(20-25)47-31-22-30-29(37(3)33(41)38(30)4)21-28(31)36-48(42,43)27-11-6-8-24(19-27)32(40)35-13-16-45-18-17-44-15-12-34-23(2)39/h6-11,19-22,36H,5,12-18H2,1-4H3,(H,34,39)(H,35,40) |
| InChIKey | InChI | 1.06 | RIAWPTKWSYPUDU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCOc1cccc(Oc2cc3N(C)C(=O)N(C)c3cc2N[S](=O)(=O)c4cccc(c4)C(=O)NCCOCCOCCNC(C)=O)c1 |
| SMILES | CACTVS | 3.385 | CCCOc1cccc(Oc2cc3N(C)C(=O)N(C)c3cc2N[S](=O)(=O)c4cccc(c4)C(=O)NCCOCCOCCNC(C)=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCOc1cccc(c1)Oc2cc3c(cc2NS(=O)(=O)c4cccc(c4)C(=O)NCCOCCOCCNC(=O)C)N(C(=O)N3C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCOc1cccc(c1)Oc2cc3c(cc2NS(=O)(=O)c4cccc(c4)C(=O)NCCOCCOCCNC(=O)C)N(C(=O)N3C)C |
