U6X
Summary
Name: | Levosulpiride |
Synonyms: | ~{N}-[[(2~{S})-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-sulfamoyl-benzamide |
Formula: | C15 H23 N3 O4 S |
Formal charge: | 0 |
Formula weight: | 341.426 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | ~{N}-[[(2~{S})-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-sulfamoyl-benzamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-/m0/s1 |
InChIKey | InChI | 1.06 | BGRJTUBHPOOWDU-NSHDSACASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCN1CCC[C@H]1CNC(=O)c2cc(ccc2OC)[S](N)(=O)=O |
SMILES | CACTVS | 3.385 | CCN1CCC[CH]1CNC(=O)c2cc(ccc2OC)[S](N)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN1CCC[C@H]1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 2.0.7 | CCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N |