4WB
Summary
| Name: | 5-[[(2R)-2-(3-chlorophenyl)-1'-methyl-spiro[2H-indole-3,4'-piperidine]-1-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide |
| Formula: | C25 H26 Cl N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 468.011 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[[(2~{R})-2-(3-chlorophenyl)-1'-methyl-spiro[2~{H}-indole-3,4'-piperidine]-1-yl]methyl]-~{N}-oxidanyl-thiophene-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C25H26ClN3O2S/c1-28-13-11-25(12-14-28)20-7-2-3-8-21(20)29(23(25)17-5-4-6-18(26)15-17)16-19-9-10-22(32-19)24(30)27-31/h2-10,15,23,31H,11-14,16H2,1H3,(H,27,30)/t23-/m1/s1 |
| InChIKey | InChI | 1.03 | JRHJYZJKMQDKEM-HSZRJFAPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCC2(CC1)[C@H](N(Cc3sc(cc3)C(=O)NO)c4ccccc24)c5cccc(Cl)c5 |
| SMILES | CACTVS | 3.385 | CN1CCC2(CC1)[CH](N(Cc3sc(cc3)C(=O)NO)c4ccccc24)c5cccc(Cl)c5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCC2(CC1)c3ccccc3N([C@@H]2c4cccc(c4)Cl)Cc5ccc(s5)C(=O)NO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCC2(CC1)c3ccccc3N(C2c4cccc(c4)Cl)Cc5ccc(s5)C(=O)NO |
