A1JWN
Summary
| Name: | 3-[(1~{S})-1-azanylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]carbonylbenzenesulfonic acid |
| Formula: | C20 H22 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 386.465 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[(1~{S})-1-azanylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]carbonylbenzenesulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H22N2O4S/c21-18-17-7-2-1-4-15(17)13-20(18)8-10-22(11-9-20)19(23)14-5-3-6-16(12-14)27(24,25)26/h1-7,12,18H,8-11,13,21H2,(H,24,25,26)/t18-/m1/s1 |
| InChIKey | InChI | 1.06 | IBCLIJFSBZWNPM-GOSISDBHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H]1c2ccccc2CC13CCN(CC3)C(=O)c4cccc(c4)[S](O)(=O)=O |
| SMILES | CACTVS | 3.385 | N[CH]1c2ccccc2CC13CCN(CC3)C(=O)c4cccc(c4)[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)CC3([C@@H]2N)CCN(CC3)C(=O)c4cccc(c4)S(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)CC3(C2N)CCN(CC3)C(=O)c4cccc(c4)S(=O)(=O)O |
