W6O
Summary
| Name: | (3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)sulfonyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-5-carboxamide |
| Formula: | C22 H24 Cl2 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 467.409 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)sulfonyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H24Cl2N2O3S/c1-14-2-6-20(7-3-14)30(28,29)26-12-17-8-16(9-18(17)13-26)22(27)25-11-15-4-5-19(23)10-21(15)24/h2-7,10,16-18H,8-9,11-13H2,1H3,(H,25,27)/t16-,17+,18- |
| InChIKey | InChI | 1.06 | LGIZBXBXVOKOLX-BCDXTJNWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1)[S](=O)(=O)N2C[C@H]3CC(C[C@H]3C2)C(=O)NCc4ccc(Cl)cc4Cl |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1)[S](=O)(=O)N2C[CH]3CC(C[CH]3C2)C(=O)NCc4ccc(Cl)cc4Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)S(=O)(=O)N2C[C@H]3CC(C[C@H]3C2)C(=O)NCc4ccc(cc4Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)S(=O)(=O)N2CC3CC(CC3C2)C(=O)NCc4ccc(cc4Cl)Cl |
