A1H1P
Summary
| Name: | Veralipride, (S)- |
| Synonyms: | 2,3-dimethoxy-N-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methyl]-5-sulfamoyl-benzamide Veralipride |
| Formula: | C17 H25 N3 O5 S |
| Formal charge: | 0 |
| Formula weight: | 383.463 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2,3-dimethoxy-~{N}-[[(2~{S})-1-prop-2-enylpyrrolidin-2-yl]methyl]-5-sulfamoyl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H25N3O5S/c1-4-7-20-8-5-6-12(20)11-19-17(21)14-9-13(26(18,22)23)10-15(24-2)16(14)25-3/h4,9-10,12H,1,5-8,11H2,2-3H3,(H,19,21)(H2,18,22,23)/t12-/m0/s1 |
| InChIKey | InChI | 1.06 | RYJXBGGBZJGVQF-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | COc1cc(cc(C(=O)NC[CH]2CCCN2CC=C)c1OC)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(cc(c1OC)C(=O)NC[C@@H]2CCCN2CC=C)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(cc(c1OC)C(=O)NCC2CCCN2CC=C)S(=O)(=O)N |
