A1JDO
Summary
| Name: | ~{N}-(3-methoxypropyl)-~{N}-[[(3~{S})-1-prop-2-ynylpyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide |
| Formula: | C22 H28 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 400.534 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(3-methoxypropyl)-~{N}-[[(3~{S})-1-prop-2-ynylpyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H28N2O3S/c1-3-12-23-14-11-19(17-23)18-24(13-6-15-27-2)28(25,26)22-10-9-20-7-4-5-8-21(20)16-22/h1,4-5,7-10,16,19H,6,11-15,17-18H2,2H3 |
| InChIKey | InChI | 1.06 | NTSSFAYVZQLMOD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCCCN(C[C@H]1CCN(CC#C)C1)[S](=O)(=O)c2ccc3ccccc3c2 |
| SMILES | CACTVS | 3.385 | COCCCN(C[CH]1CCN(CC#C)C1)[S](=O)(=O)c2ccc3ccccc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COCCCN(C[C@H]1CCN(C1)CC#C)S(=O)(=O)c2ccc3ccccc3c2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COCCCN(CC1CCN(C1)CC#C)S(=O)(=O)c2ccc3ccccc3c2 |
