N7S
Summary
| Name: | 4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide |
| Formula: | C11 H17 N3 O5 S |
| Formal charge: | 0 |
| Formula weight: | 303.335 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide |
| OpenEye OEToolkits | 2.0.7 | 1-(4-oxidanylbutyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cc(cc(c1O)NC(NCCCCO)=O)S(N)(=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C11H17N3O5S/c12-20(18,19)8-3-4-10(16)9(7-8)14-11(17)13-5-1-2-6-15/h3-4,7,15-16H,1-2,5-6H2,(H2,12,18,19)(H2,13,14,17) |
| InChIKey | InChI | 1.03 | YIESVFNRTQHBOZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(O)c(NC(=O)NCCCCO)c1 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(O)c(NC(=O)NCCCCO)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1S(=O)(=O)N)NC(=O)NCCCCO)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1S(=O)(=O)N)NC(=O)NCCCCO)O |
