7VE
Summary
| Name: | 4-[[1-[3-[(17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(21),2(10),3,8,13,15,17,19-octaen-16-yl)oxy]propyl]triazol-4-yl]methoxy]benzenesulfonamide |
| Formula: | C31 H30 N5 O7 S |
| Formal charge: | 1 |
| Formula weight: | 616.664 Da |
| Component type: | non-polymer |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C31H30N5O7S/c1-39-28-8-3-20-13-27-25-15-30-29(42-19-43-30)14-21(25)9-11-35(27)17-26(20)31(28)40-12-2-10-36-16-22(33-34-36)18-41-23-4-6-24(7-5-23)44(32,37)38/h3-8,13-17H,2,9-12,18-19H2,1H3,(H2,32,37,38)/q+1 |
| InChIKey | InChI | 1.03 | ZPZQYKHNQSCVCG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OCCCn6cc(COc7ccc(cc7)[S](N)(=O)=O)nn6 |
| SMILES | CACTVS | 3.385 | COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OCCCn6cc(COc7ccc(cc7)[S](N)(=O)=O)nn6 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc2cc-3[n+](cc2c1OCCCn4cc(nn4)COc5ccc(cc5)S(=O)(=O)N)CCc6c3cc7c(c6)OCO7 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2cc-3[n+](cc2c1OCCCn4cc(nn4)COc5ccc(cc5)S(=O)(=O)N)CCc6c3cc7c(c6)OCO7 |
