SBB
Summary
| Name: | N-[2-(1H-INDOL-5-YL)-BUTYL]-4-SULFAMOYL-BENZAMIDE |
| Formula: | C19 H21 N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 371.453 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[(2S)-2-(1H-indol-5-yl)butyl]-4-sulfamoylbenzamide |
| OpenEye OEToolkits | 1.5.0 | N-[(2S)-2-(1H-indol-5-yl)butyl]-4-sulfamoyl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(N)c1ccc(cc1)C(=O)NCC(c2cc3c(cc2)ncc3)CC |
| SMILES_CANONICAL | CACTVS | 3.341 | CC[C@H](CNC(=O)c1ccc(cc1)[S](N)(=O)=O)c2ccc3[nH]ccc3c2 |
| SMILES | CACTVS | 3.341 | CC[CH](CNC(=O)c1ccc(cc1)[S](N)(=O)=O)c2ccc3[nH]ccc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC[C@H](CNC(=O)c1ccc(cc1)S(=O)(=O)N)c2ccc3c(c2)cc[nH]3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCC(CNC(=O)c1ccc(cc1)S(=O)(=O)N)c2ccc3c(c2)cc[nH]3 |
| InChI | InChI | 1.03 | InChI=1S/C19H21N3O3S/c1-2-13(15-5-8-18-16(11-15)9-10-21-18)12-22-19(23)14-3-6-17(7-4-14)26(20,24)25/h3-11,13,21H,2,12H2,1H3,(H,22,23)(H2,20,24,25)/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | FSRPBGBMEKDSIJ-CYBMUJFWSA-N |
