A1EY4
Summary
| Name: | (3~{S})-~{N}-[(~{R})-(4-phenylphenyl)-thiophen-2-yl-methyl]piperidine-3-carboxamide |
| Formula: | C23 H24 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 376.514 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-~{N}-[(~{R})-(4-phenylphenyl)-thiophen-2-yl-methyl]piperidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C23H24N2OS/c26-23(20-8-4-14-24-16-20)25-22(21-9-5-15-27-21)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-3,5-7,9-13,15,20,22,24H,4,8,14,16H2,(H,25,26)/t20-,22+/m0/s1 |
| InChIKey | InChI | 1.06 | ZEHKTRSFTWNPFP-RBBKRZOGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(N[C@@H](c1sccc1)c2ccc(cc2)c3ccccc3)[C@H]4CCCNC4 |
| SMILES | CACTVS | 3.385 | O=C(N[CH](c1sccc1)c2ccc(cc2)c3ccccc3)[CH]4CCCNC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc(cc2)[C@H](c3cccs3)NC(=O)[C@H]4CCCNC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc(cc2)C(c3cccs3)NC(=O)C4CCCNC4 |
