SIE
Summary
| Name: | SULFAMIC ACID 1-DECYL-2-(4-SULFAMOYLOXYPHENYL)-1H-INDOL-6-YL ESTER |
| Formula: | C24 H33 N3 O6 S2 |
| Formal charge: | 0 |
| Formula weight: | 523.665 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-[1-decyl-6-(sulfamoyloxy)-1H-indol-2-yl]phenyl sulfamate |
| OpenEye OEToolkits | 1.5.0 | [4-(1-decyl-6-sulfamoyloxy-indol-2-yl)phenyl] sulfamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(Oc1ccc(cc1)c3cc2ccc(OS(=O)(=O)N)cc2n3CCCCCCCCCC)N |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCCCCn1c2cc(O[S](N)(=O)=O)ccc2cc1c3ccc(O[S](N)(=O)=O)cc3 |
| SMILES | CACTVS | 3.341 | CCCCCCCCCCn1c2cc(O[S](N)(=O)=O)ccc2cc1c3ccc(O[S](N)(=O)=O)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCn1c2cc(ccc2cc1c3ccc(cc3)OS(=O)(=O)N)OS(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCn1c2cc(ccc2cc1c3ccc(cc3)OS(=O)(=O)N)OS(=O)(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C24H33N3O6S2/c1-2-3-4-5-6-7-8-9-16-27-23(19-10-13-21(14-11-19)32-34(25,28)29)17-20-12-15-22(18-24(20)27)33-35(26,30)31/h10-15,17-18H,2-9,16H2,1H3,(H2,25,28,29)(H2,26,30,31) |
| InChIKey | InChI | 1.03 | MXTDPQJZUVFANV-UHFFFAOYSA-N |
