UHN
Summary
| Name: | 4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzaldehyde |
| Formula: | C16 H22 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 322.422 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H22N2O3S/c19-13-14-3-5-16(6-4-14)22(20,21)18-11-7-15(8-12-18)17-9-1-2-10-17/h3-6,13,15H,1-2,7-12H2 |
| InChIKey | InChI | 1.03 | OBIKKFYXQXDQPX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=Cc1ccc(cc1)[S](=O)(=O)N2CCC(CC2)N3CCCC3 |
| SMILES | CACTVS | 3.385 | O=Cc1ccc(cc1)[S](=O)(=O)N2CCC(CC2)N3CCCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=O)S(=O)(=O)N2CCC(CC2)N3CCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=O)S(=O)(=O)N2CCC(CC2)N3CCCC3 |
