N7D
Summary
| Name: | 3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide |
| Formula: | C11 H17 N3 O4 S |
| Formal charge: | 0 |
| Formula weight: | 287.335 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide |
| OpenEye OEToolkits | 2.0.7 | 1-(4-oxidanylbutyl)-3-(3-sulfamoylphenyl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OCCCCNC(Nc1cc(ccc1)S(=O)(=O)N)=O |
| InChI | InChI | 1.03 | InChI=1S/C11H17N3O4S/c12-19(17,18)10-5-3-4-9(8-10)14-11(16)13-6-1-2-7-15/h3-5,8,15H,1-2,6-7H2,(H2,12,17,18)(H2,13,14,16) |
| InChIKey | InChI | 1.03 | VHNLDERZDZTERH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1cccc(NC(=O)NCCCCO)c1 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1cccc(NC(=O)NCCCCO)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)S(=O)(=O)N)NC(=O)NCCCCO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)S(=O)(=O)N)NC(=O)NCCCCO |
