N8A
Summary
| Name: | 4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide |
| Formula: | C14 H16 N4 O4 S |
| Formal charge: | 0 |
| Formula weight: | 336.366 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide |
| OpenEye OEToolkits | 2.0.7 | 1-(2-oxidanyl-5-sulfamoyl-phenyl)-3-(2-pyridin-2-ylethyl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cccnc1CCNC(Nc2cc(ccc2O)S(=O)(=O)N)=O |
| InChI | InChI | 1.03 | InChI=1S/C14H16N4O4S/c15-23(21,22)11-4-5-13(19)12(9-11)18-14(20)17-8-6-10-3-1-2-7-16-10/h1-5,7,9,19H,6,8H2,(H2,15,21,22)(H2,17,18,20) |
| InChIKey | InChI | 1.03 | BTQJGTGBPQIYNN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(O)c(NC(=O)NCCc2ccccn2)c1 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(O)c(NC(=O)NCCc2ccccn2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)CCNC(=O)Nc2cc(ccc2O)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)CCNC(=O)Nc2cc(ccc2O)S(=O)(=O)N |
