Name | Naratriptan Impurity 34 |
Synonyms | 2-[3-(4-hydroxy-1-methylpiperidin-4-yl)-1H-indol-5-yl]-N-methylethanesulfonamide |
CAS | 1123177-86-5 |
InChI | InChI=1S/C17H25N3O3S/c1-18-24(22,23)10-5-13-3-4-16-14(11-13)15(12-19-16)17(21)6-8-20(2)9-7-17/h3-4,11-12,18-19,21H,5-10H2,1-2H3 |
InChIKey | IEYUSYKVZUTQIX-UHFFFAOYSA-N |
Canonical Smiles | CNS(=O)(=O)CCC1=CC2=C(NC=C2C2(O)CCN(C)CC2)C=C1 |
Isomers Smiles | CNS(=O)(=O)CCC1=CC2=C(NC=C2C2(O)CCN(C)CC2)C=C1 |
Molecular Formula | C17H25N3O3S |
Molar Mass | 351.47 |
Density | 1.3±0.1 g/cm3 (Predicted) |
Boling Point | 593.9±60.0 °C at 760 mmHg (Predicted) |
Flash Point | 313.0±32.9 °C (Predicted) |
PSA | 93.81000 |
logP | 2.58240 |
Refractive Index | 1.631 (Predicted) |